|
Refractive_Index:
|
1.418
|
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
|
Flash_Point:
|
91.1±20.4 °C
|
|
LogP:
|
0.25
|
|
Bolling_Point:
|
229.8±15.0 °C at 760 mmHg
|
|
PSA:
|
44.76000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4892 ', '2 . Molar volume （m3/mol）1940 ', '3 . Parachor （902K）4490 ', '4 . Surface tension 286 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 1939']
|
|
Computational_Chemistry:
|
['1 . XlogP 12 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count ', '6 . TPSA 448 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 136 ', '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']
|
|
MF:
|
C9H18O4
|
|
Exact_Mass:
|
190.120514
|
|
FW:
|
190.237
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,25℃）097 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）200 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 1417 ', '8 . Flash point（ºC）856 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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']
|
