|
Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 0 ', '2 . Hydrogen Bond Acceptor Count 4 ', '3 . Rotatable Bond Count 8 ', '4 . TPSA 369 ', '5 . Heavy Atom Count 13 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 912 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 0 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 1']
|
|
Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 254057337 Da ', '8. Nominal mass 254 Da ', '9. Average mass 252882 Da']
|
|
More_Info:
|
['1 . Appearance Liquid ，对潮气敏感。 ', '2 . Density（g/mL,25/4℃）1140 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-72 ', '5 . Boiling point（ºC,Atmospheric pressure）1855 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）49 ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 分解']
|
