|
Computational_Chemistry:
|
['1 . XlogP 01 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 295 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 911 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3534 ', '2 . Molar volume （m3/mol）1383 ', '3 . Parachor （902K）3212 ', '4 . Surface tension 291 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）1401']
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）0917 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,760mmHg）152-154 ', '7 . Refractive index（n20/D）1418 ', '8 . Flash point（ºC）511 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
|
