|
FW:
|
100.116
|
|
MF:
|
C5H8O2
|
|
Water_Solubility:
|
60 g/L (15 ºC)
|
|
Refractive_Index:
|
1.395
|
|
Vapor_Pressure:
|
26.4±0.2 mmHg at 25°C
|
|
Bolling_Point:
|
108.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
100.052429
|
|
PSA:
|
34.14000
|
|
Computational_Chemistry:
|
['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :8 ', '6. TPSA 341 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :943 ', '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']
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|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2527 ', '2 . Molar volume 1054 ', '3 . Parachor （902K）2412 ', '4 . Surface tension 275 ', '5 . Polarizability 1001']
|
|
LogP:
|
-0.80
|
|
Melting_Point:
|
-52 °C
|
|
Flash_Point:
|
18.9±0.0 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
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['1. Appearance Yellow or 带黄绿色清澈Liquid ', '2. Melting point（℃）-52 ', '3. Boiling point（℃）108 ', '4 . Solubility Soluble in Water Ethanol Ethyl ether 丙酮。 ', '5常温. Refractive index(n19D) 14014 ', '6相对. Density（20℃，4℃）09565 ', '7 . Flash point（ºC）18']
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