|
Bolling_Point:
|
155.4±23.0 °C at 760 mmHg
|
|
Vapor_Pressure:
|
3.0±0.3 mmHg at 25°C
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1106 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）99 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 1416 ', '8 . Flash point（ºC）>110 ', '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']
|
|
LogP:
|
-0.38
|
|
Computational_Chemistry:
|
['1. XlogP :-03 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 263 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :705 ', '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']
|
|
Exact_Mass:
|
100.052429
|
|
MF:
|
C5H8O2
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Refractive_Index:
|
1.530
|
|
PSA:
|
26.30000
|
|
Flash_Point:
|
53.8±16.2 °C
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2666 ', '2 . Molar volume （m3/mol）863 ', '3 . Parachor （902K）2196 ', '4 . Surface tension 418 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 1056']
|
|
FW:
|
100.116
|
