|
Refractive_Index:
|
n20/D 1.406
|
|
Vapor_Pressure:
|
21.1mmHg at 25°C
|
|
Flash_Point:
|
60 °F
|
|
LogP:
|
1.57540
|
|
Bolling_Point:
|
118-120 °C(lit.)
|
|
FW:
|
100.15900
|
|
PSA:
|
12.53000
|
|
Computational_Chemistry:
|
['1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 125 ', '6 . Heavy Atom Count 7 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 521 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
MF:
|
C6H12O
|
|
Exact_Mass:
|
100.08900
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2942 ', '2 . Molar volume 1148 ', '3 . Parachor （902K）2683 ', '4 . Surface tension : 298 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1166']
|
|
Density:
|
0.833 g/mL at 20 °C(lit.)
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃） 0833 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）118 ', '6 常温. Refractive index（n20）14051 ', '7 . Refractive index 1406 ', '8 . Flash point（ºC） 15 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '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 Insoluble in Water 。']
|
