|
Refractive_Index:
|
1.540
|
|
Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
|
|
Flash_Point:
|
168.6±27.9 °C
|
|
LogP:
|
-1.84
|
|
Bolling_Point:
|
355.2±42.0 °C at 760 mmHg
|
|
PSA:
|
69.56000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2949 ', '2 . Molar volume （m3/mol）939 ', '3 . Parachor （902K）2639 ', '4 . Surface tension 622 ', '5 . Polarizability （10 -24cm 3）1169']
|
|
Computational_Chemistry:
|
['1. XlogP :-33 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 696 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :125 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '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:
|
257ºC
|
|
MF:
|
C5H9NO3
|
|
Exact_Mass:
|
131.058243
|
|
FW:
|
131.130
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 1 . Appearance White 片状结晶or 结晶状粉末 2 . Density（ g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ ºC ）274℃（分解） 5 . Boiling point（ ºC, Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）-59 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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 ', '易Soluble in Water （36\ue0101%,25℃），微Soluble in Ethanol ，Insoluble in Ethyl ether and 正丁醇。']
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