|
FW:
|
308.414
|
|
Refractive_Index:
|
1.587
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Flash_Point:
|
>110 ºC
|
|
LogP:
|
5.47
|
|
Bolling_Point:
|
445.2±40.0 °C at 760 mmHg
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 . Density（g/mL, 20 ℃ ）13382 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-52 ', '5 . Boiling point（ºC,Atmospheric pressure）155 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（ 24 ℃ ）14861 8 . Flash point（ ºC ）>110 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 可Water 解']
|
|
Computational_Chemistry:
|
['1. XlogP :61 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :5 ', '6. TPSA 405 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :365 ', '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']
|
|
Melting_Point:
|
-52ºC
|
|
MF:
|
C21H24O2
|
|
Exact_Mass:
|
308.177643
|
|
Molecular_Structure:
|
['1 . Molar refractive index 9598 ', '2 . Molar volume （m3/mol）2884 ', '3 . Parachor （902K）7305 ', '4 . Surface tension 411 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability （10 -24cm 3）3805']
|
|
Density:
|
1.08
|
|
PSA:
|
40.46000
|
