Cleaned up code
This commit is contained in:
Harmen Prins
parent
6878fadf97
commit
34ca31fc09
@ -1,4 +1,4 @@
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[GUIoptions]
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[GUI_Options]
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# Personalize options in your User Interface
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# Commonly used parameters are listed in the GUI for easy selection
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122
GUI/gui.py
122
GUI/gui.py
@ -1,41 +1,53 @@
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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 configImporter():
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class ConfigImporter():
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def __init__(self, filename):
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"""Read the filename into the parser."""
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import ConfigParser
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self.filename = filename
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self.parser = ConfigParser.ConfigParser()
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self.parser.read(self.filename)
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def load_common_parameters(self):
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return self.parser.get('GUIoptions', 'CommonParameters')
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def load_common_attributes(self):
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"""Loads common attributes from the initialized file."""
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return self.parser.get('GUI_Options', 'CommonParameters')
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def load_output_types(self):
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return self.parser.get('GUIoptions', 'OutputTypes')
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"""Loads output types from the initialized file."""
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return self.parser.get('GUI_Options', 'OutputTypes')
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def load_always_attributes(self):
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"""Loads attributes that are always searched for from the initialized file."""
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return self.parser.get('GUI_Options', 'AlwaysParameters')
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def load_always_parameters(self):
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return self.parser.get('GUIoptions', 'AlwaysParameters')
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class GUI():
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def __init__(self):
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self.configurator = configImporter('config.cfg')
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"""Boots the window, configuration."""
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self.configurator = ConfigImporter('config.cfg')
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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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self.window, self.variables = self.generate_window(self.load_common_attributes(), self.load_output_types())
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def load_common_parameters(self):
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return [x.strip() for x in self.configurator.load_common_parameters().split(',')]
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def load_common_attributes(self):
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"""Calls the configuration parser for common attributes."""
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return [x.strip() for x in self.configurator.load_common_attributes().split(',')]
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def load_output_types(self):
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"""Calls the configuration parser for output types."""
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return [x.strip() for x in self.configurator.load_output_types().split(',')]
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def load_always_parameters(self):
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return ','.join([x.strip() for x in self.configurator.load_always_parameters().split(',')])
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def load_always_attributes(self):
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"""Calls the configuration parser for attributes that are always used."""
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return ','.join([x.strip() for x in self.configurator.load_always_attributes().split(',')])
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def generate_window(self, common_parameters, output_types):
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def generate_window(self, common_attributes, output_types):
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"""Creates all widgets and variables in the window."""
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window = Tk()
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window.wm_title("Fourmi Crawler")
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@ -44,57 +56,59 @@ class GUI():
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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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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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input_substance.focus()
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frame_all_parameters = Frame(window)
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frame_selecting_parameters = Frame(frame_all_parameters)
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frame_all_attributes = Frame(window)
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frame_selecting_attributes = Frame(frame_all_attributes)
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frame_new_parameters = Frame(frame_selecting_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_new_attributes = Frame(frame_selecting_attributes)
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label_new_attributes = Label(frame_new_attributes, text="Parameters: ")
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input_new_attributes = Text(frame_new_attributes, font=("Helvetica", 8), width=25, height=7, padx=5, pady=5)
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variables.update({"new_attributes": input_new_attributes})
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frame_new_attributes.pack(side=LEFT)
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label_new_attributes.pack()
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input_new_attributes.pack()
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frame_common_parameters = Frame(frame_selecting_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_common_attributes = Frame(frame_selecting_attributes)
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label_common_attributes = Label(frame_common_attributes, text="Common Parameters: ")
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input_common_attributes = Listbox(frame_common_attributes, selectmode=MULTIPLE, height=7)
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scrollbar_common_attributes = Scrollbar(frame_common_attributes)
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input_common_attributes.config(yscrollcommand=scrollbar_common_attributes.set)
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scrollbar_common_attributes.config(command=input_common_attributes.yview)
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if common_attributes and len(common_attributes) > 0:
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input_common_attributes.insert(END, *common_attributes)
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variables.update({"common_attributes": input_common_attributes})
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frame_common_attributes.pack(side=RIGHT)
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label_common_attributes.pack(side=TOP)
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input_common_attributes.pack(side=LEFT)
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scrollbar_common_attributes.pack(side=RIGHT, fill=Y)
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frame_selecting_parameters.pack()
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frame_selecting_attributes.pack()
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frame_checkbox_parameters = Frame(frame_all_parameters)
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variable_all_parameters = BooleanVar()
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variable_all_parameters.set(False)
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input_all_parameters = Checkbutton(frame_checkbox_parameters, text="Search ALL parameters", variable=variable_all_parameters)
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variables.update({"all_parameters":variable_all_parameters})
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frame_checkbox_parameters.pack(side=BOTTOM)
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input_all_parameters.pack()
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frame_checkbox_attributes = Frame(frame_all_attributes)
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variable_all_attributes = BooleanVar()
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variable_all_attributes.set(False)
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input_all_attributes = Checkbutton(frame_checkbox_attributes, text="Search ALL parameters",
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variable=variable_all_attributes)
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variables.update({"all_attributes": variable_all_attributes})
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frame_checkbox_attributes.pack(side=BOTTOM)
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input_all_attributes.pack()
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frame_all_parameters.pack()
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frame_all_attributes.pack()
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if output_types and len(output_types) == 1:
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output_type = StringVar()
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output_type.set(output_types[0])
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variables.update({"output_type":output_type})
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variables.update({"output_type": output_type})
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else:
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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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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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@ -115,13 +129,13 @@ class GUI():
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return window, variables
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def prepare_search(self):
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"""Saves the values from the window for later retrieval."""
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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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values.update({"Always Parameters":self.load_always_parameters()})
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values.update({"Always attributes": self.load_always_attributes()})
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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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@ -138,13 +152,14 @@ class GUI():
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self.window.destroy()
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def execute_search(self):
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"""Calls the Fourmi crawler with the values from the GUI"""
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print self.values
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if self.values.get('all_parameters'):
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if self.values.get('all_attributes'):
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attributes = ""
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else:
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parameters = ['Parameters', 'Common Parameters', 'Always Parameters']
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attributes = ','.join([str(self.values.get(parameter)) for parameter in parameters])
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attribute_types = ['attributes', 'Common attributes', 'Always attributes']
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attributes = ','.join([str(self.values.get(attribute)) for attribute in attribute_types])
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print attributes
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@ -164,6 +179,7 @@ class GUI():
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search(arguments, source_loader)
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def run(self):
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"""Starts the window and the search."""
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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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220
GUI/results.json
220
GUI/results.json
@ -521,3 +521,223 @@
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{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.093 bar", "source": "NIST"}
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{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1226 bar", "source": "NIST"}
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{"attribute": "Triple point pressure", "reliability": "Unknown", "conditions": "", "value": "0.1066 bar", "source": "NIST"}
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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": "Unknown", "conditions": "", "value": "74-82-8\u00a0Y", "source": "Wikipedia"}
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{"attribute": "PubChem", "reliability": "Unknown", "conditions": "", "value": "297", "source": "Wikipedia"}
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{"attribute": "ChemSpider", "reliability": "Unknown", "conditions": "", "value": "291\u00a0Y", "source": "Wikipedia"}
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{"attribute": "EC number", "reliability": "Unknown", "conditions": "", "value": "200-812-7", "source": "Wikipedia"}
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{"attribute": "UN number", "reliability": "Unknown", "conditions": "", "value": "1971", "source": "Wikipedia"}
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{"attribute": "KEGG", "reliability": "Unknown", "conditions": "", "value": "C01438\u00a0N", "source": "Wikipedia"}
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{"attribute": "MeSH", "reliability": "Unknown", "conditions": "", "value": "Methane", "source": "Wikipedia"}
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{"attribute": "ChEBI", "reliability": "Unknown", "conditions": "", "value": "CHEBI:16183\u00a0Y", "source": "Wikipedia"}
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{"attribute": "ChEMBL", "reliability": "Unknown", "conditions": "", "value": "CHEMBL17564\u00a0Y", "source": "Wikipedia"}
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{"attribute": "RTECS number", "reliability": "Unknown", "conditions": "", "value": "PA1490000", "source": "Wikipedia"}
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{"attribute": "Beilstein Reference", "reliability": "Unknown", "conditions": "", "value": "1718732", "source": "Wikipedia"}
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{"attribute": "Gmelin Reference", "reliability": "Unknown", "conditions": "", "value": "59", "source": "Wikipedia"}
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{"attribute": "3DMet", "reliability": "Unknown", "conditions": "", "value": "B01450", "source": "Wikipedia"}
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{"attribute": "Jmol-3D images", "reliability": "Unknown", "conditions": "", "value": "Image 1", "source": "Wikipedia"}
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{"attribute": "Molecular formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "Wikipedia"}
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{"attribute": "Molar mass", "reliability": "Unknown", "conditions": "", "value": "16.04 g mol\u22121", "source": "Wikipedia"}
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{"attribute": "Appearance", "reliability": "Unknown", "conditions": "", "value": "Colorless gas", "source": "Wikipedia"}
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{"attribute": "Odor", "reliability": "Unknown", "conditions": "", "value": "Odorless", "source": "Wikipedia"}
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{"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"}
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{"attribute": "Melting point", "reliability": "Unknown", "conditions": "", "value": "90.7 K", "source": "Wikipedia"}
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{"attribute": "Boiling point", "reliability": "Unknown", "conditions": "", "value": "111.66 K", "source": "Wikipedia"}
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{"attribute": "Solubility in water", "reliability": "Unknown", "conditions": "", "value": "22.7 mg L\u22121", "source": "Wikipedia"}
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{"attribute": "Solubility", "reliability": "Unknown", "conditions": "", "value": "soluble in ethanol, diethyl ether, benzene, toluene, methanol, acetone", "source": "Wikipedia"}
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{"attribute": "log P", "reliability": "Unknown", "conditions": "", "value": "1.09", "source": "Wikipedia"}
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{"attribute": "kH", "reliability": "Unknown", "conditions": "", "value": "14 nmol Pa\u22121 kg\u22121", "source": "Wikipedia"}
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{"attribute": "Molecular shape", "reliability": "Unknown", "conditions": "", "value": "Tetrahedron", "source": "Wikipedia"}
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{"attribute": "Dipole moment", "reliability": "Unknown", "conditions": "", "value": "0 D", "source": "Wikipedia"}
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{"attribute": "Specific heat capacity C", "reliability": "Unknown", "conditions": "", "value": "35.69 J/K/mol", "source": "Wikipedia"}
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{"attribute": "Std molar entropy So298", "reliability": "Unknown", "conditions": "", "value": "186.25 J/K/mol", "source": "Wikipedia"}
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{"attribute": "Std enthalpy of formation \u0394fHo298", "reliability": "Unknown", "conditions": "", "value": "\u221274.87 kJ mol\u22121", "source": "Wikipedia"}
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{"attribute": "Std enthalpy of combustion \u0394cHo298", "reliability": "Unknown", "conditions": "", "value": "\u2212891.1\u2013\u2212890.3 kJ mol\u22121", "source": "Wikipedia"}
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{"attribute": "MSDS", "reliability": "Unknown", "conditions": "", "value": "External MSDS", "source": "Wikipedia"}
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{"attribute": "GHS signal word", "reliability": "Unknown", "conditions": "", "value": "DANGER", "source": "Wikipedia"}
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{"attribute": "GHS hazard statements", "reliability": "Unknown", "conditions": "", "value": "H220", "source": "Wikipedia"}
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{"attribute": "GHS precautionary statements", "reliability": "Unknown", "conditions": "", "value": "P210", "source": "Wikipedia"}
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{"attribute": "EU Index", "reliability": "Unknown", "conditions": "", "value": "601-001-00-4", "source": "Wikipedia"}
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{"attribute": "EU classification", "reliability": "Unknown", "conditions": "", "value": "F+", "source": "Wikipedia"}
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{"attribute": "R-phrases", "reliability": "Unknown", "conditions": "", "value": "R12", "source": "Wikipedia"}
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{"attribute": "S-phrases", "reliability": "Unknown", "conditions": "", "value": "(S2), S16, S33", "source": "Wikipedia"}
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{"attribute": "NFPA 704", "reliability": "Unknown", "conditions": "", "value": "4 1 0", "source": "Wikipedia"}
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{"attribute": "Flash point", "reliability": "Unknown", "conditions": "", "value": "85.1 K", "source": "Wikipedia"}
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{"attribute": "Explosive limits", "reliability": "Unknown", "conditions": "", "value": "4.4\u201317%", "source": "Wikipedia"}
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{"attribute": "Related alkanes", "reliability": "Unknown", "conditions": "", "value": "Methyl iodide Diiodomethane Iodoform Carbon tetraiodide Ethane Ethyl iodide", "source": "Wikipedia"}
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{"attribute": "Structure and properties", "reliability": "Unknown", "conditions": "", "value": "n, \u03b5r, etc.", "source": "Wikipedia"}
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{"attribute": "Thermodynamic data", "reliability": "Unknown", "conditions": "", "value": "Phase behaviour Solid, liquid, gas", "source": "Wikipedia"}
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{"attribute": "Spectral data", "reliability": "Unknown", "conditions": "", "value": "UV, IR, NMR, MS", "source": "Wikipedia"}
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{"attribute": "IUPAC Standard InChI", "reliability": "Unknown", "conditions": "", "value": "InChI=1S/CH4/h1H4", "source": "NIST"}
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{"attribute": "CAS Registry Number", "reliability": "Unknown", "conditions": "", "value": "74-82-8", "source": "NIST"}
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{"attribute": "Molecular weight", "reliability": "Unknown", "conditions": "", "value": "16.0425", "source": "NIST"}
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{"attribute": "Chemical formula", "reliability": "Unknown", "conditions": "", "value": "CH4", "source": "NIST"}
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{"attribute": "IUPAC Standard InChIKey", "reliability": "Unknown", "conditions": "", "value": "VNWKTOKETHGBQD-UHFFFAOYSA-N", "source": "NIST"}
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{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "85.7 K", "source": "NIST"}
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{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.6 K", "source": "NIST"}
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{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "91.2 K", "source": "NIST"}
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{"attribute": "Fusion (melting) point", "reliability": "Unknown", "conditions": "", "value": "90.5 K", "source": "NIST"}
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{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09860 l/mol", "source": "NIST"}
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{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.09852 l/mol", "source": "NIST"}
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{"attribute": "Critical volume", "reliability": "Unknown", "conditions": "", "value": "0.100 l/mol", "source": "NIST"}
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{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "8.519 kJ/mol", "source": "NIST"}
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{"attribute": "Enthalpy of vaporization", "reliability": "Unknown", "conditions": "111.7 K", "value": "8.17 kJ/mol", "source": "NIST"}
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{"attribute": "Entropy of vaporization", "reliability": "Unknown", "conditions": "99.54 K", "value": "85.58 J/mol*K", "source": "NIST"}
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{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "90.99 - 189.99 K", "value": "A=3.9895, B=443.028, C=-0.49", "source": "NIST"}
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{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "96.89 - 110.19 K", "value": "A=2.00253, B=125.819, C=-48.823", "source": "NIST"}
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{"attribute": "Antoine Equation Parameters", "reliability": "Unknown", "conditions": "93.04 - 107.84 K", "value": "A=3.80235, B=403.106, C=-5.479", "source": "NIST"}
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{"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"}
|
||||
|
||||
Reference in New Issue
Block a user