|
Refractive_Index:
|
1.451
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
135.1±18.2 °C
|
|
LogP:
|
2.61
|
|
Bolling_Point:
|
290.5±13.0 °C at 760 mmHg
|
|
PSA:
|
52.60000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6032 ', '2 . Molar volume （m3/mol）2233 ', '3 . Parachor （902K）5294 ', '4 . Surface tension 315 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）2391']
|
|
Vapor_Density:
|
2.09 (vs air)
|
|
Computational_Chemistry:
|
['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 9 ', '5 . Isotope Atom Count ', '6 . TPSA 526 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 261 ', '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:
|
−117 °C(lit.)
|
|
MF:
|
C12H18O4
|
|
Exact_Mass:
|
226.120514
|
|
FW:
|
226.269
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless to 淡Yellow Liquid ', '2 . Density（g/mLat 25°C）1023 ', '3 . Relative vapor density（g/mL,Atmosphere =1）209 ', '4 . Melting point（ºC）-117 ', '5 . Boiling point（ºC,Atmospheric pressure）3-4 ', '6 . Boiling point（ºC,15mmHg）Unknow ', '7 . Refractive index（n20/D）1456 ', '8 . Flash point（ºC）33 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）430 ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
|
