First working version of GUI
This commit is contained in:
Harmen Prins
parent
4203a65b57
commit
60c86ec576
1
GUI/__init__.py
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GUI/__init__.py
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124
GUI/gui.py
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GUI/gui.py
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from Tkinter import *
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import tkMessageBox
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from fourmi import search
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from sourceloader import SourceLoader
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class GUI():
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def __init__(self):
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self.finish_with_search = False
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self.values = {}
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self.window, self.variables = self.generate_window(self.load_common_parameters(), self.load_output_types())
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def load_common_parameters(self):
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return ["Boiling Point", "Density", "Molecular Formula", "More0", "More1", "More2", "More3", "More4"]
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def load_output_types(self):
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return ["json", "csv", "xlsx"]
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def generate_window(self, common_parameters, output_types):
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window = Tk()
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window.wm_title("Fourmi Crawler")
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variables = {}
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variable_substance = StringVar(window)
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frame_substance = Frame(window)
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label_substance = Label(frame_substance, text="Substance: ")
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input_substance = Entry(frame_substance, font=("Helvetica",12), width=25, textvariable=variable_substance)
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variables.update({"substance":variable_substance})
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frame_substance.pack(side=TOP)
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label_substance.pack()
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input_substance.pack()
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frame_all_parameters = Frame(window)
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frame_new_parameters = Frame(frame_all_parameters)
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label_new_parameters = Label(frame_new_parameters, text="Parameters: ")
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input_new_parameters = Text(frame_new_parameters, font=("Helvetica",8), width=25, height=7, padx=5, pady=5)
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variables.update({"new_parameters":input_new_parameters})
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frame_new_parameters.pack(side=LEFT)
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label_new_parameters.pack()
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input_new_parameters.pack()
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frame_common_parameters = Frame(frame_all_parameters)
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label_common_parameters = Label(frame_common_parameters, text="Common Parameters: ")
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input_common_parameters = Listbox(frame_common_parameters, selectmode=MULTIPLE, height=7)
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scrollbar_common_parameters = Scrollbar(frame_common_parameters)
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input_common_parameters.config(yscrollcommand=scrollbar_common_parameters.set)
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scrollbar_common_parameters.config(command=input_common_parameters.yview)
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if common_parameters and len(common_parameters) > 0:
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input_common_parameters.insert(END,*common_parameters)
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variables.update({"common_parameters":input_common_parameters})
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frame_common_parameters.pack(side=RIGHT)
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label_common_parameters.pack(side=TOP)
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input_common_parameters.pack(side=LEFT)
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scrollbar_common_parameters.pack(side=RIGHT, fill=Y)
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frame_all_parameters.pack()
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output_type = StringVar()
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output_type.set(output_types[0] if output_types and len(output_types) != 0 else "json")
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variables.update({"output_type":output_type})
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frame_output_type = Frame(window)
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label_output_type = Label(frame_output_type, text="Output: ")
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if output_types and len(output_types) > 0:
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input_output_type = OptionMenu(frame_output_type, output_type, *output_types)
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else:
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input_output_type = Label(frame_output_type, text="No output types in config file\nSelecting json")
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frame_output_type.pack()
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label_output_type.pack()
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input_output_type.pack()
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frame_last = Frame(window)
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search_button = Button(frame_last, text="Start search", command=self.prepare_search)
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cancel_button = Button(frame_last, text="Cancel", command=window.destroy)
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frame_last.pack(side=BOTTOM)
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search_button.pack(side=LEFT)
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cancel_button.pack(side=RIGHT)
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return window, variables
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def prepare_search(self):
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self.finish_with_search = True
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variables = self.variables
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values = {}
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for name, var in variables.iteritems():
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if var.__class__ is StringVar:
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values.update({name: var.get()})
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elif var.__class__ is Text:
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values.update({name: str(var.get("1.0", END)).strip()})
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elif var.__class__ is Listbox:
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values.update({name: ", ".join([var.get(int(i)) for i in var.curselection()])})
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else:
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print "No known class"
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self.values = values
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self.window.destroy()
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def execute_search(self):
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print self.values
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arguments = {'--exclude': None,
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'--format': self.values.get('output_type'),
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'--help': False,
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'--include': None,
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'--log': None,
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'--output': 'result.*format*',
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'--verbose': False,
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'--version': False,
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'<compound>': self.values.get('substance'),
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'list': False,
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'search': True}
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source_loader = SourceLoader()
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search(arguments, source_loader)
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def run(self):
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self.window.mainloop()
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if self.finish_with_search:
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self.execute_search()
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else:
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tkMessageBox.showinfo("Notice", "No search was executed!")
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GUI().run()
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84
GUI/results.json
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GUI/results.json
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[{"attribute": "CAS number", "reliability": "", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"},
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{"attribute": "PubChem", "reliability": "", "conditions": "", "value": "297", "source": "Wikipedia"},
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{"attribute": "ChemSpider", "reliability": "", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"},
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{"attribute": "EC number", "reliability": "", "conditions": "", "value": "200-812-7", "source": "Wikipedia"},
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{"attribute": "UN number", "reliability": "", "conditions": "", "value": "1971", "source": "Wikipedia"},
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{"attribute": "KEGG", "reliability": "", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"},
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{"attribute": "MeSH", "reliability": "", "conditions": "", "value": "Methane", "source": "Wikipedia"},
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{"attribute": "ChEBI", "reliability": "", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"},
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{"attribute": "ChEMBL", "reliability": "", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"},
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{"attribute": "RTECS number", "reliability": "", "conditions": "", "value": "PA1490000", "source": "Wikipedia"},
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{"attribute": "Beilstein Reference", "reliability": "", "conditions": "", "value": "1718732", "source": "Wikipedia"},
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{"attribute": "Gmelin Reference", "reliability": "", "conditions": "", "value": "59", "source": "Wikipedia"},
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{"attribute": "3DMet", "reliability": "", "conditions": "", "value": "B01450", "source": "Wikipedia"},
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{"attribute": "Jmol-3D images", "reliability": "", "conditions": "", "value": "Image 1", "source": "Wikipedia"},
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{"attribute": "Molecular formula", "reliability": "", "conditions": "", "value": "CH4", "source": "Wikipedia"},
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{"attribute": "Molar mass", "reliability": "", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"},
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{"attribute": "Appearance", "reliability": "", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"},
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{"attribute": "Odor", "reliability": "", "conditions": "", "value": "Odorless", "source": "Wikipedia"},
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{"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"},
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{"attribute": "Melting point", "reliability": "", "conditions": "", "value": "90.7 K", "source": "Wikipedia"},
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{"attribute": "Boiling point", "reliability": "", "conditions": "", "value": "111.66 K", "source": "Wikipedia"},
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{"attribute": "Solubility in water", "reliability": "", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"},
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{"attribute": "Solubility", "reliability": "", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"},
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{"attribute": "log P", "reliability": "", "conditions": "", "value": "1.09", "source": "Wikipedia"},
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{"attribute": "kH", "reliability": "", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"},
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{"attribute": "Molecular shape", "reliability": "", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"},
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{"attribute": "Dipole moment", "reliability": "", "conditions": "", "value": "0 D", "source": "Wikipedia"},
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{"attribute": "Specific heat capacity C", "reliability": "", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"},
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{"attribute": "Std molar entropy So298", "reliability": "", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"},
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{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"},
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{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"},
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{"attribute": "MSDS", "reliability": "", "conditions": "", "value": "External MSDS", "source": "Wikipedia"},
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{"attribute": "GHS signal word", "reliability": "", "conditions": "", "value": "DANGER", "source": "Wikipedia"},
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{"attribute": "GHS hazard statements", "reliability": "", "conditions": "", "value": "H220", "source": "Wikipedia"},
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{"attribute": "GHS precautionary statements", "reliability": "", "conditions": "", "value": "P210", "source": "Wikipedia"},
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{"attribute": "EU Index", "reliability": "", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"},
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{"attribute": "EU classification", "reliability": "", "conditions": "", "value": "F+", "source": "Wikipedia"},
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{"attribute": "R-phrases", "reliability": "", "conditions": "", "value": "R12", "source": "Wikipedia"},
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{"attribute": "S-phrases", "reliability": "", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"},
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{"attribute": "NFPA 704", "reliability": "", "conditions": "", "value": "4 1 0", "source": "Wikipedia"},
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{"attribute": "Flash point", "reliability": "", "conditions": "", "value": "85.1 K", "source": "Wikipedia"},
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{"attribute": "Explosive limits", "reliability": "", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"},
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{"attribute": "Related alkanes", "reliability": "", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"},
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{"attribute": "Structure and properties", "reliability": "", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"},
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{"attribute": "Thermodynamic data", "reliability": "", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"},
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{"attribute": "Spectral data", "reliability": "", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"},
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{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"},
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{"attribute": "ACD/LogP", "reliability": "Unknown", "conditions": "", "value": "1.09\u00b10.21", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "# of Rule of 5 Violations", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "ACD/LogD", "reliability": "Unknown", "conditions": "pH 5.5", "value": "1.09", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "ACD/BCF", "reliability": "Unknown", "conditions": "pH 5.5", "value": "3.97", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "ACD/KOC", "reliability": "Unknown", "conditions": "pH 5.5", "value": "93.32", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "#H bond acceptors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "#H bond donors", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "#Freely Rotating Bonds", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Polar Surface Area", "reliability": "Unknown", "conditions": "", "value": "0 \u212b2", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Index of Refraction", "reliability": "Unknown", "conditions": "", "value": "", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Molar Refractivity", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Molar Volume", "reliability": "Unknown", "conditions": "", "value": "cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Polarizability", "reliability": "Unknown", "conditions": "", "value": "10-24cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Surface Tension", "reliability": "Unknown", "conditions": "", "value": "dyne/cm", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Density", "reliability": "Unknown", "conditions": "", "value": "g/cm3", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Flash Point", "reliability": "Unknown", "conditions": "", "value": "-228.3\u00b111.7 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Enthalpy of Vaporization", "reliability": "Unknown", "conditions": "", "value": "8.17 kJ/mol", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Boiling Point", "reliability": "Unknown", "conditions": "760 mmHg", "value": "-164.0\u00b17.0 \u00b0C", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Vapour Pressure", "reliability": "Unknown", "conditions": "25\u00b0C", "value": "205285.6\u00b10.1 mmHg", "source": "ChemSpider Predicted - ACD/Labs Tab"},
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{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "245-251 \u00b0C", "source": "Alfa Aesar"},
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{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "102-105 \u00b0C", "source": "Alfa Aesar"},
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{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "253-256 \u00b0C", "source": "Alfa Aesar"},
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{"attribute": "Experimental Melting Point", "reliability": "Unknown", "conditions": "", "value": "-182 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"},
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{"attribute": "Experimental Boiling Point", "reliability": "Unknown", "conditions": "", "value": "-164 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"},
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{"attribute": "Experimental Flash Point", "reliability": "Unknown", "conditions": "", "value": "-221 \u00b0C", "source": "Oxford University Chemical Safety Data (No longer updated)"},
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{"attribute": "Experimental Gravity", "reliability": "Unknown", "conditions": "", "value": "0.717 g/l (717 g/mL)", "source": "Alfa Aesar"}]
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252
results.json
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results.json
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{"attribute": "CSID", "reliability": "Unknown", "conditions": "", "value": "291", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "MF", "reliability": "Unknown", "conditions": "", "value": "CH_{4}", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "SMILES", "reliability": "Unknown", "conditions": "", "value": "C", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1/CH4/h1H4", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYAM", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "AverageMass", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "MolecularWeight", "reliability": "Unknown", "conditions": "", "value": "16.04246", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "MonoisotopicMass", "reliability": "Unknown", "conditions": "", "value": "16.0313", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "NominalMass", "reliability": "Unknown", "conditions": "", "value": "16", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "ALogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "XLogP", "reliability": "Unknown", "conditions": "", "value": "0", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "CommonName", "reliability": "Unknown", "conditions": "", "value": "methane", "source": "ChemSpider ExtendedCompoundInfo"}
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{"attribute": "CAS number", "reliability": "", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"}
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{"attribute": "PubChem", "reliability": "", "conditions": "", "value": "297", "source": "Wikipedia"}
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{"attribute": "ChemSpider", "reliability": "", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"}
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{"attribute": "EC number", "reliability": "", "conditions": "", "value": "200-812-7", "source": "Wikipedia"}
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{"attribute": "UN number", "reliability": "", "conditions": "", "value": "1971", "source": "Wikipedia"}
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{"attribute": "KEGG", "reliability": "", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"}
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{"attribute": "MeSH", "reliability": "", "conditions": "", "value": "Methane", "source": "Wikipedia"}
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{"attribute": "ChEBI", "reliability": "", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"}
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{"attribute": "ChEMBL", "reliability": "", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"}
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{"attribute": "RTECS number", "reliability": "", "conditions": "", "value": "PA1490000", "source": "Wikipedia"}
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{"attribute": "Beilstein Reference", "reliability": "", "conditions": "", "value": "1718732", "source": "Wikipedia"}
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{"attribute": "Gmelin Reference", "reliability": "", "conditions": "", "value": "59", "source": "Wikipedia"}
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{"attribute": "3DMet", "reliability": "", "conditions": "", "value": "B01450", "source": "Wikipedia"}
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{"attribute": "Jmol-3D images", "reliability": "", "conditions": "", "value": "Image 1", "source": "Wikipedia"}
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{"attribute": "Molecular formula", "reliability": "", "conditions": "", "value": "CH4", "source": "Wikipedia"}
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{"attribute": "Molar mass", "reliability": "", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"}
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{"attribute": "Appearance", "reliability": "", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"}
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{"attribute": "Odor", "reliability": "", "conditions": "", "value": "Odorless", "source": "Wikipedia"}
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{"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"}
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{"attribute": "Melting point", "reliability": "", "conditions": "", "value": "90.7 K", "source": "Wikipedia"}
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||||
{"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"}
|
||||
Reference in New Issue
Block a user