|
FW:
|
290.353
|
|
MF:
|
C14H26O6
|
|
Refractive_Index:
|
1.442
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1038 ', '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, 4mmHg）164-166 ', '7 . Refractive index（D20)14410 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg, 20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ℃)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']
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Bolling_Point:
|
359.1±22.0 °C at 760 mmHg
|
|
Exact_Mass:
|
290.172943
|
|
PSA:
|
71.06000
|
|
Computational_Chemistry:
|
['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 15 ', '5 . Isotope Atom Count ', '6 . TPSA 711 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 228 ', '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:
|
['五分子性质数据 ', '1 . Molar refractive index 7394 ', '2 . Molar volume （m3/mol）2793 ', '3 . Parachor （902K）6779 ', '4 . Surface tension 347 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 2931']
|
|
LogP:
|
1.57
|
|
Flash_Point:
|
153.7±22.4 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
