|
Refractive_Index:
|
1.468
|
|
Vapor_Pressure:
|
0.0±2.4 mmHg at 25°C
|
|
Flash_Point:
|
231.8±17.7 °C
|
|
LogP:
|
6.03
|
|
Bolling_Point:
|
436.3±18.0 °C at 760 mmHg
|
|
PSA:
|
57.53000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 8849 ', '2 . Molar volume 3181 ', '3 . Parachor （902K）7841 ', '4 . Surface tension 369 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 3508']
|
|
Computational_Chemistry:
|
['1 . XlogP 65 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 16 ', '5 . Isotope Atom Count ', '6 . TPSA 575 ', '7 . Heavy Atom Count 21 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 229 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
80-81ºC
|
|
MF:
|
C18H36O3
|
|
Exact_Mass:
|
300.266449
|
|
FW:
|
300.477
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 晶体状粉末。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）80-81 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 25ºC）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 Unknow']
|
