|
Refractive_Index:
|
1.399
|
|
Vapor_Pressure:
|
3.3±0.3 mmHg at 25°C
|
|
Flash_Point:
|
51.9±22.7 °C
|
|
LogP:
|
0.33
|
|
Bolling_Point:
|
153.7±23.0 °C at 760 mmHg
|
|
FW:
|
116.115
|
|
PSA:
|
43.37000
|
|
Computational_Chemistry:
|
['1. XlogP :-01 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 434 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :106 ', '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']
|
|
MF:
|
C5H8O3
|
|
Exact_Mass:
|
116.047340
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2701 ', '2 . Molar volume 1116 ', '3 . Parachor （902K）2608 ', '4 . Surface tension 297 ', '5 . Polarizability 1071']
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Boiling point（ºC,Atmospheric pressure）171 ', '2 . Density(d204) 10757 ', '3 . Refractive index(n20D) 14141 ', '4 . Flash point（ºC）71 ', '5 . Solubility 易Soluble in Water Ethanol Ethyl ether 。']
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