|
FW:
|
85.104
|
|
MF:
|
C4H7NO
|
|
Water_Solubility:
|
335 g/L (20 ºC)
|
|
Refractive_Index:
|
1.388
|
|
Vapor_Pressure:
|
2.1±0.3 mmHg at 25°C
|
|
Bolling_Point:
|
163.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
85.052765
|
|
PSA:
|
33.02000
|
|
Computational_Chemistry:
|
['1. XlogP :-02 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 33 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :612 ', '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:
|
['1 . Molar refractive index 2223 ', '2 . Molar volume 943 ', '3 . Parachor （902K）2192 ', '4 . Surface tension 292 ', '5 . Polarizability 881']
|
|
LogP:
|
-0.44
|
|
Melting_Point:
|
-62.9 °C
|
|
Flash_Point:
|
61.1±0.0 °C
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or 淡Yellow Liquid 。 ', '2 . Density（g/mL,20/4℃）09397 ', '3 . Melting point（ºC）-63 ', '4 . Boiling point（ºC,Atmospheric pressure）163~165 ', '5 . Refractive index（20ºC）14043 ', '6 . Flash point（ºC）61 ', '7 . Solubility Soluble in Ethanol and Ethyl ether 。']
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