From 71d4171b1fe8fddd373827979c2a6c6ea9559782 Mon Sep 17 00:00:00 2001 From: Harmen Prins Date: Wed, 11 Jun 2014 16:10:52 +0200 Subject: [PATCH] Changed paths so it works --- GUI/gui.py | 4 +- GUI/results.json | 743 ----------------------------------------------- results.json | 328 --------------------- 3 files changed, 2 insertions(+), 1073 deletions(-) delete mode 100644 GUI/results.json delete mode 100644 results.json diff --git a/GUI/gui.py b/GUI/gui.py index 363fde3..5b07da7 100644 --- a/GUI/gui.py +++ b/GUI/gui.py @@ -9,7 +9,7 @@ class ConfigImporter(): def __init__(self, filename): """Read the filename into the parser.""" import ConfigParser - self.filename = "GUI/" + filename + self.filename = filename self.parser = ConfigParser.ConfigParser() self.parser.read(self.filename) @@ -33,7 +33,7 @@ class GUI(): self.finish_with_search = False self.values = {} self.window, self.variables = self.generate_window(self.load_common_attributes(), self.load_output_types()) - self.required_variables = [''] + self.required_variables = ['substance'] def load_common_attributes(self): """Calls the configuration parser for common attributes.""" diff --git a/GUI/results.json b/GUI/results.json deleted file mode 100644 index d14c423..0000000 --- a/GUI/results.json +++ /dev/null @@ -1,743 +0,0 @@ -[{"attribute": "CAS number", "reliability": "", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"}, -{"attribute": "PubChem", "reliability": "", "conditions": "", "value": "297", "source": "Wikipedia"}, -{"attribute": "ChemSpider", "reliability": "", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"}, -{"attribute": "EC number", "reliability": "", "conditions": "", "value": "200-812-7", "source": "Wikipedia"}, -{"attribute": "UN number", "reliability": "", "conditions": "", "value": "1971", "source": "Wikipedia"}, -{"attribute": "KEGG", "reliability": "", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"}, -{"attribute": "MeSH", "reliability": "", "conditions": "", "value": "Methane", "source": "Wikipedia"}, -{"attribute": "ChEBI", "reliability": "", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"}, -{"attribute": "ChEMBL", "reliability": "", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"}, -{"attribute": "RTECS number", "reliability": "", "conditions": "", "value": "PA1490000", "source": "Wikipedia"}, -{"attribute": "Beilstein Reference", "reliability": "", "conditions": "", "value": "1718732", "source": "Wikipedia"}, -{"attribute": "Gmelin Reference", "reliability": "", "conditions": "", "value": "59", "source": "Wikipedia"}, -{"attribute": "3DMet", "reliability": "", "conditions": "", "value": "B01450", "source": "Wikipedia"}, -{"attribute": "Jmol-3D images", "reliability": "", "conditions": "", "value": "Image 1", "source": "Wikipedia"}, -{"attribute": "Molecular formula", "reliability": "", "conditions": "", "value": "CH4", "source": "Wikipedia"}, -{"attribute": "Molar mass", "reliability": "", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"}, -{"attribute": "Appearance", "reliability": "", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"}, -{"attribute": "Odor", "reliability": "", "conditions": "", "value": "Odorless", "source": "Wikipedia"}, -{"attribute": "Density", "reliability": "", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"}, -{"attribute": "Melting point", "reliability": "", "conditions": "", "value": "90.7 K", "source": "Wikipedia"}, -{"attribute": "Boiling point", "reliability": "", "conditions": "", "value": "111.66 K", "source": "Wikipedia"}, -{"attribute": "Solubility in water", "reliability": "", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"}, -{"attribute": "Solubility", "reliability": "", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"}, -{"attribute": "log P", "reliability": "", "conditions": "", "value": "1.09", "source": "Wikipedia"}, -{"attribute": "kH", "reliability": "", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"}, -{"attribute": "Molecular shape", "reliability": "", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"}, -{"attribute": "Dipole moment", "reliability": "", "conditions": "", "value": "0 D", "source": "Wikipedia"}, -{"attribute": "Specific heat capacity C", "reliability": "", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"}, -{"attribute": "Std molar entropy So298", "reliability": "", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"}, -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"}, -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"}, -{"attribute": "MSDS", "reliability": "", "conditions": "", "value": "External MSDS", "source": "Wikipedia"}, -{"attribute": "GHS signal word", "reliability": "", "conditions": "", "value": "DANGER", "source": "Wikipedia"}, -{"attribute": "GHS hazard statements", "reliability": "", "conditions": "", "value": "H220", "source": "Wikipedia"}, -{"attribute": "GHS precautionary statements", "reliability": "", "conditions": "", "value": "P210", "source": "Wikipedia"}, -{"attribute": "EU Index", "reliability": "", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"}, -{"attribute": "EU classification", "reliability": "", "conditions": "", "value": "F+", "source": "Wikipedia"}, -{"attribute": "R-phrases", "reliability": "", "conditions": "", "value": "R12", "source": "Wikipedia"}, -{"attribute": "S-phrases", "reliability": "", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"}, -{"attribute": "NFPA 704", "reliability": "", "conditions": "", "value": "4 1 0", "source": "Wikipedia"}, -{"attribute": "Flash point", "reliability": "", "conditions": "", "value": "85.1 K", "source": "Wikipedia"}, -{"attribute": "Explosive limits", "reliability": "", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"}, -{"attribute": "Related alkanes", "reliability": "", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"}, -{"attribute": "Structure and properties", "reliability": "", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"}, -{"attribute": "Thermodynamic data", "reliability": "", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"}, -{"attribute": "Spectral data", "reliability": "", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"}, -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"}, -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Index of Refraction", "reliability": "Unknown", "conditions": "", "value": "", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Molar Refractivity", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Molar Volume", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Polarizability", "reliability": "Unknown", "conditions": "", "value": "10-24cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Surface Tension", "reliability": "Unknown", "conditions": "", "value": "dyne/cm", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "g/cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Flash Point", "reliability": "Unknown", "conditions": "", "value": "-228.3\u00b111.7 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Boiling Point", "reliability": "Unknown", "conditions": "760 mmHg", "value": "-164.0\u00b17.0 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"}, -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"}, -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"}, -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"}, -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"}, -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"}, -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"}, -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"}]{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "IUPAC Standard InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1S/CH4/h1H4", "source": "NIST"} -{"attribute": "CAS Registry Number", "reliability": "Unknown", "conditions": "", "value": "74-82-8", "source": "NIST"} -{"attribute": "Molecular weight", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "NIST"} -{"attribute": "Chemical formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "NIST"} -{"attribute": "IUPAC Standard InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYSA-N", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "85.7 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.6 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "91.2 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.5 K", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09860 l/mol", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09852 l/mol", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.100 l/mol", "source": "NIST"} -{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "8.519 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "111.7 K", "value": "8.17 kJ/mol", "source": "NIST"} -{"attribute": "Entropy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "85.58 J/mol*K", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "90.99 - 189.99 K", "value": "A=3.9895, B=443.028, C=-0.49", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "96.89 - 110.19 K", "value": "A=2.00253, B=125.819, C=-48.823", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "93.04 - 107.84 K", "value": "A=3.80235, B=403.106, C=-5.479", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "110.00 - 190.5 K", "value": "A=4.22061, B=516.689, C=11.223", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "53. - 91. K", "value": "9.7 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "79. - 89. K", "value": "10.0 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "54. - 90. K", "value": "9.2 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "67. - 88. K", "value": "9.62 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of fusion", "reliability": "Unknown", "conditions": "90.7 K", "value": "0.94 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of phase transition", "reliability": "Unknown", "conditions": "20.53 K, (crystaline, II -> crystaline, I)", "value": "0.09355 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of phase transition", "reliability": "Unknown", "conditions": "90.67 K, (crystaline, I -> liquid)", "value": "0.9392 kJ/mol", "source": "NIST"} -{"attribute": "Entropy of phase transition", "reliability": "Unknown", "conditions": "20.53 K, (crystaline, II -> crystaline, I)", "value": "4.557 J/mol*K", "source": "NIST"} -{"attribute": "Entropy of phase transition", "reliability": "Unknown", "conditions": "90.67 K, (crystaline, I -> liquid)", "value": "10.36 J/mol*K", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.14 \u00b1 0.003 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.139 +- 0.010 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.139 +- 0.002 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.19 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.109 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.998 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.058 +- 0.06 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.13 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.3 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.14 +- 0.05 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.12 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.97 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.12 +- 0.06 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.04 mol/l", "source": "NIST"} -{"attribute": "CAS number", "reliability": "Unknown", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "Unknown", "conditions": "", "value": "297", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "Unknown", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"} -{"attribute": "EC number", "reliability": "Unknown", "conditions": "", "value": "200-812-7", "source": "Wikipedia"} -{"attribute": "UN number", "reliability": "Unknown", "conditions": "", "value": "1971", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "Unknown", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"} -{"attribute": "MeSH", "reliability": "Unknown", "conditions": "", "value": "Methane", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "Unknown", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "Unknown", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"} -{"attribute": "RTECS number", "reliability": "Unknown", "conditions": "", "value": "PA1490000", "source": "Wikipedia"} -{"attribute": "Beilstein Reference", "reliability": "Unknown", "conditions": "", "value": "1718732", "source": "Wikipedia"} -{"attribute": "Gmelin Reference", "reliability": "Unknown", "conditions": "", "value": "59", "source": "Wikipedia"} -{"attribute": "3DMet", "reliability": "Unknown", "conditions": "", "value": "B01450", "source": "Wikipedia"} -{"attribute": "Jmol-3D images", "reliability": "Unknown", "conditions": "", "value": "Image 1", "source": "Wikipedia"} -{"attribute": "Molecular formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "Wikipedia"} -{"attribute": "Molar mass", "reliability": "Unknown", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"} -{"attribute": "Appearance", "reliability": "Unknown", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"} -{"attribute": "Odor", "reliability": "Unknown", "conditions": "", "value": "Odorless", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"} -{"attribute": "Melting point", "reliability": "Unknown", "conditions": "", "value": "90.7 K", "source": "Wikipedia"} -{"attribute": "Boiling point", "reliability": "Unknown", "conditions": "", "value": "111.66 K", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "Unknown", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"} -{"attribute": "Solubility", "reliability": "Unknown", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"} -{"attribute": "log P", "reliability": "Unknown", "conditions": "", "value": "1.09", "source": "Wikipedia"} -{"attribute": "kH", "reliability": "Unknown", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"} -{"attribute": "Molecular shape", "reliability": "Unknown", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"} -{"attribute": "Dipole moment", "reliability": "Unknown", "conditions": "", "value": "0 D", "source": "Wikipedia"} -{"attribute": "Specific heat capacity C", "reliability": "Unknown", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std molar entropy So298", "reliability": "Unknown", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "Unknown", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "Unknown", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "MSDS", "reliability": "Unknown", "conditions": "", "value": "External MSDS", "source": "Wikipedia"} -{"attribute": "GHS signal word", "reliability": "Unknown", "conditions": "", "value": "DANGER", "source": "Wikipedia"} -{"attribute": "GHS hazard statements", "reliability": "Unknown", "conditions": "", "value": "H220", "source": "Wikipedia"} -{"attribute": "GHS precautionary statements", "reliability": "Unknown", "conditions": "", "value": "P210", "source": "Wikipedia"} -{"attribute": "EU Index", "reliability": "Unknown", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"} -{"attribute": "EU classification", "reliability": "Unknown", "conditions": "", "value": "F+", "source": "Wikipedia"} -{"attribute": "R-phrases", "reliability": "Unknown", "conditions": "", "value": "R12", "source": "Wikipedia"} -{"attribute": "S-phrases", "reliability": "Unknown", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"} -{"attribute": "NFPA 704", "reliability": "Unknown", "conditions": "", "value": "4 1 0", "source": "Wikipedia"} -{"attribute": "Flash point", "reliability": "Unknown", "conditions": "", "value": "85.1 K", "source": "Wikipedia"} -{"attribute": "Explosive limits", "reliability": "Unknown", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"} -{"attribute": "Related alkanes", "reliability": "Unknown", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"} -{"attribute": "Structure and properties", "reliability": "Unknown", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"} -{"attribute": "Thermodynamic data", "reliability": "Unknown", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"} -{"attribute": "Spectral data", "reliability": "Unknown", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.99 \u00b1 0.03 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.95 +- 0.10 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.992 +- 0.03 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.04 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.9797 +- 0.001 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "43.992 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.40 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.95 +- 0.02 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.9883 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.957 +- 0.0045 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.26 +- 0.3447 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.1519 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.08 +- 0.3447 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.30 +- 1.0133 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.40 +- 1.0133 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.2042 +- 0.3039 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.4053 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "55.60 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "50.70 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "57.60 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "47.40 bar", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.564 \u00b1 0.015 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 +- 0.01 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.58 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.53 +- 0.05 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.78 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 +- 0.05 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.53 +- 0.0019 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.57 +- 0.1 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.6 +- 0.15 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.3 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.59 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.7 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "191.07 +- 0.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.3 +- 0.5 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.30 +- 0.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "191.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "173.7 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "199.7 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "197.5 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.0003 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.005 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.005 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.03 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.002 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "88.65 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.64 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.06 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.03 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.35 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.63 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.1 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.65 +- 0.15 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.25 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "89.85 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.000 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.8 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "87.4 K", "source": "NIST"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 7.4", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 7.4", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 7.4", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.7 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 +- 0.002 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.6 +- 0.2 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.7 +- 0.3 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 +- 0.07 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "112. +- 0.5 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.5 +- 0.5 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "110.2 +- 1. K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "109.2 +- 1. K", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.00002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.00004 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1168 +- 0.0006 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 +- 0.0004 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1165 +- 0.005 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1166 +- 0.0002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1167 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1168 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1171 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1166 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1167 +- 0.0002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1165 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1163 +- 0.0013 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.093 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1226 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1066 bar", "source": "NIST"} -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CAS number", "reliability": "Unknown", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "Unknown", "conditions": "", "value": "297", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "Unknown", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"} -{"attribute": "EC number", "reliability": "Unknown", "conditions": "", "value": "200-812-7", "source": "Wikipedia"} -{"attribute": "UN number", "reliability": "Unknown", "conditions": "", "value": "1971", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "Unknown", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"} -{"attribute": "MeSH", "reliability": "Unknown", "conditions": "", "value": "Methane", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "Unknown", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "Unknown", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"} -{"attribute": "RTECS number", "reliability": "Unknown", "conditions": "", "value": "PA1490000", "source": "Wikipedia"} -{"attribute": "Beilstein Reference", "reliability": "Unknown", "conditions": "", "value": "1718732", "source": "Wikipedia"} -{"attribute": "Gmelin Reference", "reliability": "Unknown", "conditions": "", "value": "59", "source": "Wikipedia"} -{"attribute": "3DMet", "reliability": "Unknown", "conditions": "", "value": "B01450", "source": "Wikipedia"} -{"attribute": "Jmol-3D images", "reliability": "Unknown", "conditions": "", "value": "Image 1", "source": "Wikipedia"} -{"attribute": "Molecular formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "Wikipedia"} -{"attribute": "Molar mass", "reliability": "Unknown", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"} -{"attribute": "Appearance", "reliability": "Unknown", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"} -{"attribute": "Odor", "reliability": "Unknown", "conditions": "", "value": "Odorless", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"} -{"attribute": "Melting point", "reliability": "Unknown", "conditions": "", "value": "90.7 K", "source": "Wikipedia"} -{"attribute": "Boiling point", "reliability": "Unknown", "conditions": "", "value": "111.66 K", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "Unknown", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"} -{"attribute": "Solubility", "reliability": "Unknown", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"} -{"attribute": "log P", "reliability": "Unknown", "conditions": "", "value": "1.09", "source": "Wikipedia"} -{"attribute": "kH", "reliability": "Unknown", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"} -{"attribute": "Molecular shape", "reliability": "Unknown", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"} -{"attribute": "Dipole moment", "reliability": "Unknown", "conditions": "", "value": "0 D", "source": "Wikipedia"} -{"attribute": "Specific heat capacity C", "reliability": "Unknown", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std molar entropy So298", "reliability": "Unknown", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "Unknown", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "Unknown", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "MSDS", "reliability": "Unknown", "conditions": "", "value": "External MSDS", "source": "Wikipedia"} -{"attribute": "GHS signal word", "reliability": "Unknown", "conditions": "", "value": "DANGER", "source": "Wikipedia"} -{"attribute": "GHS hazard statements", "reliability": "Unknown", "conditions": "", "value": "H220", "source": "Wikipedia"} -{"attribute": "GHS precautionary statements", "reliability": "Unknown", "conditions": "", "value": "P210", "source": "Wikipedia"} -{"attribute": "EU Index", "reliability": "Unknown", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"} -{"attribute": "EU classification", "reliability": "Unknown", "conditions": "", "value": "F+", "source": "Wikipedia"} -{"attribute": "R-phrases", "reliability": "Unknown", "conditions": "", "value": "R12", "source": "Wikipedia"} -{"attribute": "S-phrases", "reliability": "Unknown", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"} -{"attribute": "NFPA 704", "reliability": "Unknown", "conditions": "", "value": "4 1 0", "source": "Wikipedia"} -{"attribute": "Flash point", "reliability": "Unknown", "conditions": "", "value": "85.1 K", "source": "Wikipedia"} -{"attribute": "Explosive limits", "reliability": "Unknown", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"} -{"attribute": "Related alkanes", "reliability": "Unknown", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"} -{"attribute": "Structure and properties", "reliability": "Unknown", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"} -{"attribute": "Thermodynamic data", "reliability": "Unknown", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"} -{"attribute": "Spectral data", "reliability": "Unknown", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"} -{"attribute": "IUPAC Standard InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1S/CH4/h1H4", "source": "NIST"} -{"attribute": "CAS Registry Number", "reliability": "Unknown", "conditions": "", "value": "74-82-8", "source": "NIST"} -{"attribute": "Molecular weight", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "NIST"} -{"attribute": "Chemical formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "NIST"} -{"attribute": "IUPAC Standard InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYSA-N", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "85.7 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.6 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "91.2 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.5 K", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09860 l/mol", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09852 l/mol", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.100 l/mol", "source": "NIST"} -{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "8.519 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "111.7 K", "value": "8.17 kJ/mol", "source": "NIST"} -{"attribute": "Entropy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "85.58 J/mol*K", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "90.99 - 189.99 K", "value": "A=3.9895, B=443.028, C=-0.49", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "96.89 - 110.19 K", "value": "A=2.00253, B=125.819, C=-48.823", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "93.04 - 107.84 K", "value": "A=3.80235, B=403.106, C=-5.479", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "110.00 - 190.5 K", "value": "A=4.22061, B=516.689, C=11.223", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "53. - 91. K", "value": "9.7 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "79. - 89. K", "value": "10.0 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "54. - 90. K", "value": "9.2 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "67. - 88. K", "value": "9.62 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of fusion", "reliability": "Unknown", "conditions": "90.7 K", "value": "0.94 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of phase transition", "reliability": "Unknown", "conditions": "20.53 K, (crystaline, II -> crystaline, I)", "value": "0.09355 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of phase transition", "reliability": "Unknown", "conditions": "90.67 K, (crystaline, I -> liquid)", "value": "0.9392 kJ/mol", "source": "NIST"} -{"attribute": "Entropy of phase transition", "reliability": "Unknown", "conditions": "20.53 K, (crystaline, II -> crystaline, I)", "value": "4.557 J/mol*K", "source": "NIST"} -{"attribute": "Entropy of phase transition", "reliability": "Unknown", "conditions": "90.67 K, (crystaline, I -> liquid)", "value": "10.36 J/mol*K", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.14 \u00b1 0.003 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.139 +- 0.010 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.139 +- 0.002 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.19 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.109 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.998 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.058 +- 0.06 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.13 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.3 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.14 +- 0.05 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.12 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.97 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.12 +- 0.06 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.04 mol/l", "source": "NIST"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 7.4", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 7.4", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 7.4", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.7 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 +- 0.002 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.6 +- 0.2 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.7 +- 0.3 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 +- 0.07 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "112. +- 0.5 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.5 +- 0.5 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "110.2 +- 1. K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "109.2 +- 1. K", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.99 \u00b1 0.03 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.95 +- 0.10 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.992 +- 0.03 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.04 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.9797 +- 0.001 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "43.992 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.40 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.95 +- 0.02 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.9883 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.957 +- 0.0045 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.26 +- 0.3447 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.1519 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.08 +- 0.3447 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.30 +- 1.0133 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.40 +- 1.0133 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.2042 +- 0.3039 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.4053 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "55.60 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "50.70 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "57.60 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "47.40 bar", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.0003 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.005 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.005 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.03 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.002 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "88.65 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.64 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.06 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.03 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.35 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.63 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.1 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.65 +- 0.15 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.25 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "89.85 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.000 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.8 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "87.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.564 \u00b1 0.015 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 +- 0.01 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.58 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.53 +- 0.05 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.78 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 +- 0.05 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.53 +- 0.0019 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.57 +- 0.1 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.6 +- 0.15 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.3 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.59 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.7 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "191.07 +- 0.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.3 +- 0.5 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.30 +- 0.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "191.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "173.7 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "199.7 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "197.5 K", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.00002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.00004 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1168 +- 0.0006 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 +- 0.0004 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1165 +- 0.005 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1166 +- 0.0002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1167 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1168 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1171 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1166 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1167 +- 0.0002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1165 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1163 +- 0.0013 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.093 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1226 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1066 bar", "source": "NIST"} -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CAS number", "reliability": "Unknown", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "Unknown", "conditions": "", "value": "297", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "Unknown", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"} -{"attribute": "EC number", "reliability": "Unknown", "conditions": "", "value": "200-812-7", "source": "Wikipedia"} -{"attribute": "UN number", "reliability": "Unknown", "conditions": "", "value": "1971", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "Unknown", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"} -{"attribute": "MeSH", "reliability": "Unknown", "conditions": "", "value": "Methane", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "Unknown", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "Unknown", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"} -{"attribute": "RTECS number", "reliability": "Unknown", "conditions": "", "value": "PA1490000", "source": "Wikipedia"} -{"attribute": "Beilstein Reference", "reliability": "Unknown", "conditions": "", "value": "1718732", "source": "Wikipedia"} -{"attribute": "Gmelin Reference", "reliability": "Unknown", "conditions": "", "value": "59", "source": "Wikipedia"} -{"attribute": "3DMet", "reliability": "Unknown", "conditions": "", "value": "B01450", "source": "Wikipedia"} -{"attribute": "Jmol-3D images", "reliability": "Unknown", "conditions": "", "value": "Image 1", "source": "Wikipedia"} -{"attribute": "Molecular formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "Wikipedia"} -{"attribute": "Molar mass", "reliability": "Unknown", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"} -{"attribute": "Appearance", "reliability": "Unknown", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"} -{"attribute": "Odor", "reliability": "Unknown", "conditions": "", "value": "Odorless", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"} -{"attribute": "Melting point", "reliability": "Unknown", "conditions": "", "value": "90.7 K", "source": "Wikipedia"} -{"attribute": "Boiling point", "reliability": "Unknown", "conditions": "", "value": "111.66 K", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "Unknown", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"} -{"attribute": "Solubility", "reliability": "Unknown", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"} -{"attribute": "log P", "reliability": "Unknown", "conditions": "", "value": "1.09", "source": "Wikipedia"} -{"attribute": "kH", "reliability": "Unknown", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"} -{"attribute": "Molecular shape", "reliability": "Unknown", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"} -{"attribute": "Dipole moment", "reliability": "Unknown", "conditions": "", "value": "0 D", "source": "Wikipedia"} -{"attribute": "Specific heat capacity C", "reliability": "Unknown", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std molar entropy So298", "reliability": "Unknown", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "Unknown", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "Unknown", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "MSDS", "reliability": "Unknown", "conditions": "", "value": "External MSDS", "source": "Wikipedia"} -{"attribute": "GHS signal word", "reliability": "Unknown", "conditions": "", "value": "DANGER", "source": "Wikipedia"} -{"attribute": "GHS hazard statements", "reliability": "Unknown", "conditions": "", "value": "H220", "source": "Wikipedia"} -{"attribute": "GHS precautionary statements", "reliability": "Unknown", "conditions": "", "value": "P210", "source": "Wikipedia"} -{"attribute": "EU Index", "reliability": "Unknown", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"} -{"attribute": "EU classification", "reliability": "Unknown", "conditions": "", "value": "F+", "source": "Wikipedia"} -{"attribute": "R-phrases", "reliability": "Unknown", "conditions": "", "value": "R12", "source": "Wikipedia"} -{"attribute": "S-phrases", "reliability": "Unknown", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"} -{"attribute": "NFPA 704", "reliability": "Unknown", "conditions": "", "value": "4 1 0", "source": "Wikipedia"} -{"attribute": "Flash point", "reliability": "Unknown", "conditions": "", "value": "85.1 K", "source": "Wikipedia"} -{"attribute": "Explosive limits", "reliability": "Unknown", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"} -{"attribute": "Related alkanes", "reliability": "Unknown", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"} -{"attribute": "Structure and properties", "reliability": "Unknown", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"} -{"attribute": "Thermodynamic data", "reliability": "Unknown", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"} -{"attribute": "Spectral data", "reliability": "Unknown", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"} -{"attribute": "IUPAC Standard InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1S/CH4/h1H4", "source": "NIST"} -{"attribute": "CAS Registry Number", "reliability": "Unknown", "conditions": "", "value": "74-82-8", "source": "NIST"} -{"attribute": "Molecular weight", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "NIST"} -{"attribute": "Chemical formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "NIST"} -{"attribute": "IUPAC Standard InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYSA-N", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "85.7 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.6 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "91.2 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.5 K", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09860 l/mol", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09852 l/mol", "source": "NIST"} -{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.100 l/mol", "source": "NIST"} -{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "8.519 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "111.7 K", "value": "8.17 kJ/mol", "source": "NIST"} -{"attribute": "Entropy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "85.58 J/mol*K", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "90.99 - 189.99 K", "value": "A=3.9895, B=443.028, C=-0.49", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "96.89 - 110.19 K", "value": "A=2.00253, B=125.819, C=-48.823", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "93.04 - 107.84 K", "value": "A=3.80235, B=403.106, C=-5.479", "source": "NIST"} -{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "110.00 - 190.5 K", "value": "A=4.22061, B=516.689, C=11.223", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "53. - 91. K", "value": "9.7 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "79. - 89. K", "value": "10.0 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "54. - 90. K", "value": "9.2 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of sublimation", "reliability": "Unknown", "conditions": "67. - 88. K", "value": "9.62 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of fusion", "reliability": "Unknown", "conditions": "90.7 K", "value": "0.94 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of phase transition", "reliability": "Unknown", "conditions": "20.53 K, (crystaline, II -> crystaline, I)", "value": "0.09355 kJ/mol", "source": "NIST"} -{"attribute": "Enthalpy of phase transition", "reliability": "Unknown", "conditions": "90.67 K, (crystaline, I -> liquid)", "value": "0.9392 kJ/mol", "source": "NIST"} -{"attribute": "Entropy of phase transition", "reliability": "Unknown", "conditions": "20.53 K, (crystaline, II -> crystaline, I)", "value": "4.557 J/mol*K", "source": "NIST"} -{"attribute": "Entropy of phase transition", "reliability": "Unknown", "conditions": "90.67 K, (crystaline, I -> liquid)", "value": "10.36 J/mol*K", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.14 \u00b1 0.003 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.139 +- 0.010 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.139 +- 0.002 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.19 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.109 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.998 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.058 +- 0.06 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.13 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.3 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.14 +- 0.05 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.12 +- 0.1 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.97 +- 0.2 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "10.12 +- 0.06 mol/l", "source": "NIST"} -{"attribute": "Critical density", "reliability": "Unknown", "conditions": "", "value": "9.04 mol/l", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.564 \u00b1 0.015 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 +- 0.01 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.58 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.53 +- 0.05 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.78 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 +- 0.05 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.55 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.53 +- 0.0019 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.57 +- 0.1 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.6 +- 0.15 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.3 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.59 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.7 +- 0.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "191.07 +- 0.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.3 +- 0.5 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "190.30 +- 0.6 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "191.4 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "173.7 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "199.7 K", "source": "NIST"} -{"attribute": "Critical temperature", "reliability": "Unknown", "conditions": "", "value": "197.5 K", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.99 \u00b1 0.03 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.95 +- 0.10 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.992 +- 0.03 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.04 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.9797 +- 0.001 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "43.992 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.40 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.95 +- 0.02 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.9883 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "45.957 +- 0.0045 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.26 +- 0.3447 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.1519 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.08 +- 0.3447 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.30 +- 1.0133 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.40 +- 1.0133 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.2042 +- 0.3039 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "46.20 +- 0.4053 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "55.60 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "50.70 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "57.60 bar", "source": "NIST"} -{"attribute": "Critical pressure", "reliability": "Unknown", "conditions": "", "value": "47.40 bar", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.0003 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.005 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.005 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.03 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.002 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "88.65 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.64 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.06 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.01 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.03 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.66 +- 0.02 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.35 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.63 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.67 +- 0.1 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.68 +- 0.05 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.65 +- 0.15 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.25 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "89.85 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.000 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "90.8 K", "source": "NIST"} -{"attribute": "Triple point temperature", "reliability": "Unknown", "conditions": "", "value": "87.4 K", "source": "NIST"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 7.4", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 7.4", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 7.4", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.7 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 +- 0.002 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.6 +- 0.2 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.7 +- 0.3 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.65 +- 0.07 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "112. +- 0.5 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "111.5 +- 0.5 K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "110.2 +- 1. K", "source": "NIST"} -{"attribute": "Normal boiling point", "reliability": "Unknown", "conditions": "", "value": "109.2 +- 1. K", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.00002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.00004 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1168 +- 0.0006 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1174 +- 0.0004 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1165 +- 0.005 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1166 +- 0.0002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1167 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1168 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1169 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1171 +- 0.000067 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1166 +- 0.0001 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1167 +- 0.0002 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1165 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1163 +- 0.0013 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.093 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1226 bar", "source": "NIST"} -{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1066 bar", "source": "NIST"} diff --git a/results.json b/results.json deleted file mode 100644 index 180fc25..0000000 --- a/results.json +++ /dev/null @@ -1,328 +0,0 @@ -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CAS number", "reliability": "", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "", "conditions": "", "value": "297", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"} -{"attribute": "EC number", "reliability": "", "conditions": "", "value": "200-812-7", "source": "Wikipedia"} -{"attribute": "UN number", "reliability": "", "conditions": "", "value": "1971", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"} -{"attribute": "MeSH", "reliability": "", "conditions": "", "value": "Methane", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"} -{"attribute": "RTECS number", "reliability": "", "conditions": "", "value": "PA1490000", "source": "Wikipedia"} -{"attribute": "Beilstein Reference", "reliability": "", "conditions": "", "value": "1718732", "source": "Wikipedia"} -{"attribute": "Gmelin Reference", "reliability": "", "conditions": "", "value": "59", "source": "Wikipedia"} -{"attribute": "3DMet", "reliability": "", "conditions": "", "value": "B01450", "source": "Wikipedia"} -{"attribute": "Jmol-3D images", "reliability": "", "conditions": "", "value": "Image 1", "source": "Wikipedia"} -{"attribute": "Molecular formula", "reliability": "", "conditions": "", "value": "CH4", "source": "Wikipedia"} -{"attribute": "Molar mass", "reliability": "", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"} -{"attribute": "Appearance", "reliability": "", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"} -{"attribute": "Odor", "reliability": "", "conditions": "", "value": "Odorless", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"} -{"attribute": "Melting point", "reliability": "", "conditions": "", "value": "90.7 K", "source": "Wikipedia"} -{"attribute": "Boiling point", "reliability": "", "conditions": "", "value": "111.66 K", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"} -{"attribute": "Solubility", "reliability": "", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"} -{"attribute": "log P", "reliability": "", "conditions": "", "value": "1.09", "source": "Wikipedia"} -{"attribute": "kH", "reliability": "", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"} -{"attribute": "Molecular shape", "reliability": "", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"} -{"attribute": "Dipole moment", "reliability": "", "conditions": "", "value": "0 D", "source": "Wikipedia"} -{"attribute": "Specific heat capacity C", "reliability": "", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std molar entropy So298", "reliability": "", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "MSDS", "reliability": "", "conditions": "", "value": "External MSDS", "source": "Wikipedia"} -{"attribute": "GHS signal word", "reliability": "", "conditions": "", "value": "DANGER", "source": "Wikipedia"} -{"attribute": "GHS hazard statements", "reliability": "", "conditions": "", "value": "H220", "source": "Wikipedia"} -{"attribute": "GHS precautionary statements", "reliability": "", "conditions": "", "value": "P210", "source": "Wikipedia"} -{"attribute": "EU Index", "reliability": "", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"} -{"attribute": "EU classification", "reliability": "", "conditions": "", "value": "F+", "source": "Wikipedia"} -{"attribute": "R-phrases", "reliability": "", "conditions": "", "value": "R12", "source": "Wikipedia"} -{"attribute": "S-phrases", "reliability": "", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"} -{"attribute": "NFPA 704", "reliability": "", "conditions": "", "value": "4 1 0", "source": "Wikipedia"} -{"attribute": "Flash point", "reliability": "", "conditions": "", "value": "85.1 K", "source": "Wikipedia"} -{"attribute": "Explosive limits", "reliability": "", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"} -{"attribute": "Related alkanes", "reliability": "", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"} -{"attribute": "Structure and properties", "reliability": "", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"} -{"attribute": "Thermodynamic data", "reliability": "", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"} -{"attribute": "Spectral data", "reliability": "", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Index of Refraction", "reliability": "Unknown", "conditions": "", "value": "", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Refractivity", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Volume", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polarizability", "reliability": "Unknown", "conditions": "", "value": "10-24cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Surface Tension", "reliability": "Unknown", "conditions": "", "value": "dyne/cm", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "g/cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Flash Point", "reliability": "Unknown", "conditions": "", "value": "-228.3\u00b111.7 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Boiling Point", "reliability": "Unknown", "conditions": "760 mmHg", "value": "-164.0\u00b17.0 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data"} -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data"} -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"} -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CAS number", "reliability": "", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "", "conditions": "", "value": "297", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"} -{"attribute": "EC number", "reliability": "", "conditions": "", "value": "200-812-7", "source": "Wikipedia"} -{"attribute": "UN number", "reliability": "", "conditions": "", "value": "1971", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"} -{"attribute": "MeSH", "reliability": "", "conditions": "", "value": "Methane", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"} -{"attribute": "RTECS number", "reliability": "", "conditions": "", "value": "PA1490000", "source": "Wikipedia"} -{"attribute": "Beilstein Reference", "reliability": "", "conditions": "", "value": "1718732", "source": "Wikipedia"} -{"attribute": "Gmelin Reference", "reliability": "", "conditions": "", "value": "59", "source": "Wikipedia"} -{"attribute": "3DMet", "reliability": "", "conditions": "", "value": "B01450", "source": "Wikipedia"} -{"attribute": "Jmol-3D images", "reliability": "", "conditions": "", "value": "Image 1", "source": "Wikipedia"} -{"attribute": "Molecular formula", "reliability": "", "conditions": "", "value": "CH4", "source": "Wikipedia"} -{"attribute": "Molar mass", "reliability": "", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"} -{"attribute": "Appearance", "reliability": "", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"} -{"attribute": "Odor", "reliability": "", "conditions": "", "value": "Odorless", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"} -{"attribute": "Melting point", "reliability": "", "conditions": "", "value": "90.7 K", "source": "Wikipedia"} -{"attribute": "Boiling point", "reliability": "", "conditions": "", "value": "111.66 K", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"} -{"attribute": "Solubility", "reliability": "", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"} -{"attribute": "log P", "reliability": "", "conditions": "", "value": "1.09", "source": "Wikipedia"} -{"attribute": "kH", "reliability": "", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"} -{"attribute": "Molecular shape", "reliability": "", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"} -{"attribute": "Dipole moment", "reliability": "", "conditions": "", "value": "0 D", "source": "Wikipedia"} -{"attribute": "Specific heat capacity C", "reliability": "", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std molar entropy So298", "reliability": "", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "MSDS", "reliability": "", "conditions": "", "value": "External MSDS", "source": "Wikipedia"} -{"attribute": "GHS signal word", "reliability": "", "conditions": "", "value": "DANGER", "source": "Wikipedia"} -{"attribute": "GHS hazard statements", "reliability": "", "conditions": "", "value": "H220", "source": "Wikipedia"} -{"attribute": "GHS precautionary statements", "reliability": "", "conditions": "", "value": "P210", "source": "Wikipedia"} -{"attribute": "EU Index", "reliability": "", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"} -{"attribute": "EU classification", "reliability": "", "conditions": "", "value": "F+", "source": "Wikipedia"} -{"attribute": "R-phrases", "reliability": "", "conditions": "", "value": "R12", "source": "Wikipedia"} -{"attribute": "S-phrases", "reliability": "", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"} -{"attribute": "NFPA 704", "reliability": "", "conditions": "", "value": "4 1 0", "source": "Wikipedia"} -{"attribute": "Flash point", "reliability": "", "conditions": "", "value": "85.1 K", "source": "Wikipedia"} -{"attribute": "Explosive limits", "reliability": "", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"} -{"attribute": "Related alkanes", "reliability": "", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"} -{"attribute": "Structure and properties", "reliability": "", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"} -{"attribute": "Thermodynamic data", "reliability": "", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"} -{"attribute": "Spectral data", "reliability": "", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Index of Refraction", "reliability": "Unknown", "conditions": "", "value": "", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Refractivity", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Volume", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polarizability", "reliability": "Unknown", "conditions": "", "value": "10-24cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Surface Tension", "reliability": "Unknown", "conditions": "", "value": "dyne/cm", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "g/cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Flash Point", "reliability": "Unknown", "conditions": "", "value": "-228.3\u00b111.7 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Boiling Point", "reliability": "Unknown", "conditions": "760 mmHg", "value": "-164.0\u00b17.0 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"} -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CAS number", "reliability": "", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "", "conditions": "", "value": "297", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"} -{"attribute": "EC number", "reliability": "", "conditions": "", "value": "200-812-7", "source": "Wikipedia"} -{"attribute": "UN number", "reliability": "", "conditions": "", "value": "1971", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"} -{"attribute": "MeSH", "reliability": "", "conditions": "", "value": "Methane", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"} -{"attribute": "RTECS number", "reliability": "", "conditions": "", "value": "PA1490000", "source": "Wikipedia"} -{"attribute": "Beilstein Reference", "reliability": "", "conditions": "", "value": "1718732", "source": "Wikipedia"} -{"attribute": "Gmelin Reference", "reliability": "", "conditions": "", "value": "59", "source": "Wikipedia"} -{"attribute": "3DMet", "reliability": "", "conditions": "", "value": "B01450", "source": "Wikipedia"} -{"attribute": "Jmol-3D images", "reliability": "", "conditions": "", "value": "Image 1", "source": "Wikipedia"} -{"attribute": "Molecular formula", "reliability": "", "conditions": "", "value": "CH4", "source": "Wikipedia"} -{"attribute": "Molar mass", "reliability": "", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"} -{"attribute": "Appearance", "reliability": "", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"} -{"attribute": "Odor", "reliability": "", "conditions": "", "value": "Odorless", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "", "conditions": "", "value": "0.656g/L at 25\u00b0C, 1 atm 0.716g/L at 0\u00b0C, 1 atm 0.42262 g cm\u22123 (at 111 K)[2]", "source": "Wikipedia"} -{"attribute": "Melting point", "reliability": "", "conditions": "", "value": "90.7 K", "source": "Wikipedia"} -{"attribute": "Boiling point", "reliability": "", "conditions": "", "value": "111.66 K", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"} -{"attribute": "Solubility", "reliability": "", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"} -{"attribute": "log P", "reliability": "", "conditions": "", "value": "1.09", "source": "Wikipedia"} -{"attribute": "kH", "reliability": "", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"} -{"attribute": "Molecular shape", "reliability": "", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"} -{"attribute": "Dipole moment", "reliability": "", "conditions": "", "value": "0 D", "source": "Wikipedia"} -{"attribute": "Specific heat capacity C", "reliability": "", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std molar entropy So298", "reliability": "", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"} -{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"} -{"attribute": "MSDS", "reliability": "", "conditions": "", "value": "External MSDS", "source": "Wikipedia"} -{"attribute": "GHS signal word", "reliability": "", "conditions": "", "value": "DANGER", "source": "Wikipedia"} -{"attribute": "GHS hazard statements", "reliability": "", "conditions": "", "value": "H220", "source": "Wikipedia"} -{"attribute": "GHS precautionary statements", "reliability": "", "conditions": "", "value": "P210", "source": "Wikipedia"} -{"attribute": "EU Index", "reliability": "", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"} -{"attribute": "EU classification", "reliability": "", "conditions": "", "value": "F+", "source": "Wikipedia"} -{"attribute": "R-phrases", "reliability": "", "conditions": "", "value": "R12", "source": "Wikipedia"} -{"attribute": "S-phrases", "reliability": "", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"} -{"attribute": "NFPA 704", "reliability": "", "conditions": "", "value": "4 1 0", "source": "Wikipedia"} -{"attribute": "Flash point", "reliability": "", "conditions": "", "value": "85.1 K", "source": "Wikipedia"} -{"attribute": "Explosive limits", "reliability": "", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"} -{"attribute": "Related alkanes", "reliability": "", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"} -{"attribute": "Structure and properties", "reliability": "", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"} -{"attribute": "Thermodynamic data", "reliability": "", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"} -{"attribute": "Spectral data", "reliability": "", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Index of Refraction", "reliability": "Unknown", "conditions": "", "value": "", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Refractivity", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Volume", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polarizability", "reliability": "Unknown", "conditions": "", "value": "10-24cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Surface Tension", "reliability": "Unknown", "conditions": "", "value": "dyne/cm", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "g/cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Flash Point", "reliability": "Unknown", "conditions": "", "value": "-228.3\u00b111.7 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Boiling Point", "reliability": "Unknown", "conditions": "760 mmHg", "value": "-164.0\u00b17.0 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"} -{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "1906", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "C_{8}H_{9}NO_{2}", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "CC(=O)NC1=CC=C(C=C1)O", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "RZVAJINKPMORJF-UHFFFAOYAA", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "151.1626", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "151.16256", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "151.063324", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "151", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "Paracetamol", "source": "ChemSpider ExtendedCompoundInfo"} -{"attribute": "Trade names", "reliability": "Unknown", "conditions": "", "value": "Tylenol (USA), Panadol (Australia) and many others", "source": "Wikipedia"} -{"attribute": "AHFS/Drugs.com", "reliability": "Unknown", "conditions": "", "value": "monograph", "source": "Wikipedia"} -{"attribute": "MedlinePlus", "reliability": "Unknown", "conditions": "", "value": "a681004", "source": "Wikipedia"} -{"attribute": "Licence data", "reliability": "Unknown", "conditions": "", "value": "US\u00a0FDA:link", "source": "Wikipedia"} -{"attribute": "Pregnancy cat.", "reliability": "Unknown", "conditions": "", "value": "A (AU) C (US) Not tested but seems to be safe", "source": "Wikipedia"} -{"attribute": "Legal status", "reliability": "Unknown", "conditions": "", "value": "Unscheduled (AU) GSL (UK) OTC (US)", "source": "Wikipedia"} -{"attribute": "Routes", "reliability": "Unknown", "conditions": "", "value": "Oral, rectal, intravenous", "source": "Wikipedia"} -{"attribute": "Bioavailability", "reliability": "Unknown", "conditions": "", "value": "63-89%[1]:73", "source": "Wikipedia"} -{"attribute": "Protein binding", "reliability": "Unknown", "conditions": "", "value": "10-25%[2]", "source": "Wikipedia"} -{"attribute": "Metabolism", "reliability": "Unknown", "conditions": "", "value": "Predominantly in the liver[3]", "source": "Wikipedia"} -{"attribute": "Half-life", "reliability": "Unknown", "conditions": "", "value": "1\u20134 hours[3]", "source": "Wikipedia"} -{"attribute": "Excretion", "reliability": "Unknown", "conditions": "", "value": "Urine (85-90%)[3]", "source": "Wikipedia"} -{"attribute": "CAS number", "reliability": "Unknown", "conditions": "", "value": "103-90-2\u00a0Y", "source": "Wikipedia"} -{"attribute": "ATC code", "reliability": "Unknown", "conditions": "", "value": "N02BE01", "source": "Wikipedia"} -{"attribute": "PubChem", "reliability": "Unknown", "conditions": "", "value": "CID 1983", "source": "Wikipedia"} -{"attribute": "DrugBank", "reliability": "Unknown", "conditions": "", "value": "DB00316", "source": "Wikipedia"} -{"attribute": "ChemSpider", "reliability": "Unknown", "conditions": "", "value": "1906\u00a0Y", "source": "Wikipedia"} -{"attribute": "UNII", "reliability": "Unknown", "conditions": "", "value": "362O9ITL9D\u00a0Y", "source": "Wikipedia"} -{"attribute": "KEGG", "reliability": "Unknown", "conditions": "", "value": "D00217\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEBI", "reliability": "Unknown", "conditions": "", "value": "CHEBI:46195\u00a0Y", "source": "Wikipedia"} -{"attribute": "ChEMBL", "reliability": "Unknown", "conditions": "", "value": "CHEMBL112\u00a0Y", "source": "Wikipedia"} -{"attribute": "PDB ligand ID", "reliability": "Unknown", "conditions": "", "value": "TYL (PDBe, RCSB PDB)", "source": "Wikipedia"} -{"attribute": "Formula", "reliability": "Unknown", "conditions": "", "value": "C8H9NO2\u00a0", "source": "Wikipedia"} -{"attribute": "Mol. mass", "reliability": "Unknown", "conditions": "", "value": "151.163 g/mol", "source": "Wikipedia"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "1.263\u00a0g/cm\u00b3", "source": "Wikipedia"} -{"attribute": "Melt. point", "reliability": "Unknown", "conditions": "", "value": "169\u00a0\u00b0C (336\u00a0\u00b0F) [5][6]", "source": "Wikipedia"} -{"attribute": "Solubility in water", "reliability": "Unknown", "conditions": "", "value": "12.78[4]\u00a0mg/mL (20\u00a0\u00b0C)", "source": "Wikipedia"} -{"attribute": "IUPAC Standard InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)", "source": "NIST"} -{"attribute": "CAS Registry Number", "reliability": "Unknown", "conditions": "", "value": "103-90-2", "source": "NIST"} -{"attribute": "Molecular weight", "reliability": "Unknown", "conditions": "", "value": "151.1626", "source": "NIST"} -{"attribute": "Chemical formula", "reliability": "Unknown", "conditions": "", "value": "C8H9NO2", "source": "NIST"} -{"attribute": "IUPAC Standard InChIKey", "reliability": "Unknown", "conditions": "", "value": "RZVAJINKPMORJF-UHFFFAOYSA-N", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "441.2 K", "source": "NIST"} -{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "441. K", "source": "NIST"} -{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "0.34\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "0.34", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 7.4", "value": "0.34", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.07", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 7.4", "value": "1.06", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "36.41", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 7.4", "value": "36.29", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "49.33 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Index of Refraction", "reliability": "Unknown", "conditions": "", "value": "1.619", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Refractivity", "reliability": "Unknown", "conditions": "", "value": "42.4\u00b10.3 cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Molar Volume", "reliability": "Unknown", "conditions": "", "value": "120.9\u00b13.0 cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Polarizability", "reliability": "Unknown", "conditions": "", "value": "16.8\u00b10.5 10-24cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Surface Tension", "reliability": "Unknown", "conditions": "", "value": "52.8\u00b13.0 dyne/cm", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "1.3\u00b10.1 g/cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Flash Point", "reliability": "Unknown", "conditions": "", "value": "188.4\u00b123.2 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "66.2\u00b13.0 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Boiling Point", "reliability": "Unknown", "conditions": "760 mmHg", "value": "387.8\u00b125.0 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "0.0\u00b10.9 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "168-172 \u00b0C", "source": "SynQuest"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "169 \u00b0C", "source": "TCI"} -{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "169-172 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"} -{"attribute": "Experimental LogP", "reliability": "Unknown", "conditions": "", "value": "0.339", "source": "Vitas-M"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "1.293 g/mL", "source": "Alfa Aesar"} -{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "1.293 g/l", "source": "SynQuest"} -{"attribute": "Experimental Solubility", "reliability": "Unknown", "conditions": "", "value": "-1.03", "source": "Egon Willighagen"} -{"attribute": "Experimental Solubility", "reliability": "Unknown", "conditions": "", "value": "Soluble to 100 mM in ethanol and to 100 mM in DMSO", "source": "Tocris Bioscience"}