|
Refractive_Index:
|
1.463
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
120.9±15.9 °C
|
|
LogP:
|
-0.92
|
|
Bolling_Point:
|
287.0±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
hydrolysis
|
|
PSA:
|
43.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2492 ', '2 . Molar volume 904 ', '3 . Parachor （902K）2312 ', '4 . Surface tension 426 ', '5 偶极距（10-24cm3） ', '6 . Polarizability 988']
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|
Computational_Chemistry:
|
['1. XlogP :-01 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 434 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :114 ', '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']
|
|
Melting_Point:
|
50-55 °C(lit.)
|
|
MF:
|
C5H6O3
|
|
Exact_Mass:
|
114.031693
|
|
FW:
|
114.099
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 针状晶体 ', '2 . Density（g/mL,25℃）1429 ', '3 . Melting point（ºC）56 ', '4 . Boiling point（ºC,Atmospheric pressure）15010 ', '5 . Boiling point（ºC,133kpa）287 ', '6 . Solubility 可Soluble in Ethyl ether Ethanol and 四氢呋喃']
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