More_Info:
|
['1 . Appearance 。 ', '2 . Density(g/mL,25/4℃) ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC) ', '5 . Boiling point(ºC,Atmospheric pressure) ', '6 . Boiling point(ºC,52kPa) ', '7 . Refractive index ', '8 . Flash point(ºC) ', '9 . Specific rotation(º) ', '10 . Spontaneous ignition point or ignition temperature(ºC) ', '11 . Vapor pressure(kPa,25ºC) ', '12 . Saturated vapor pressure(kPa,60ºC) ', '13 . Combustion heat(KJ/mol) ', '14 . Critical temperature(ºC) ', '15 . Critical pressure(KPa) ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient ', '17 . Upper limit of explosion(%,V/V) ', '18 . Lower limit of explosion(%,V/V) ', '19 . Solubility 。']
|
Computational_Chemistry:
|
['1 . XlogP 15 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 5 ', '5 . TPSA 664 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 194 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
Molecular_Structure:
|
['1 . Molar refractive index 4906 ', '2 . Molar volume (m3/mol)1732 ', '3 . Parachor (902K)4384 ', '4 . Surface tension 409 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1945']
|