|
Refractive_Index:
|
1.399
|
|
Vapor_Pressure:
|
1.5±0.3 mmHg at 25°C
|
|
Flash_Point:
|
61.6±18.5 °C
|
|
LogP:
|
0.19
|
|
Bolling_Point:
|
169.4±8.0 °C at 760 mmHg
|
|
Water_Solubility:
|
460 g/L (20 ºC)
|
|
PSA:
|
43.37000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2701 ', '2 . Molar volume 1116 ', '3 . Parachor （902K）2608 ', '4 . Surface tension 297 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1071']
|
|
Computational_Chemistry:
|
['1. XlogP :0 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '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']
|
|
Melting_Point:
|
-28 °C
|
|
MF:
|
C5H8O3
|
|
Exact_Mass:
|
116.047340
|
|
FW:
|
116.115
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ，具有芳香味。 ', '2 . Density（g/mL,20/4℃）10762 ', '3 . Melting point（ºC）-80 ', '4 . Boiling point（ºC,Atmospheric pressure）172 ', '5 . Refractive index（20ºC）14184 ', '6 黏度（mPa·s,20ºC）1704 ', '7 . Flash point（ºC,闭口）82 ', '8 蒸发热（KJ/mol）3600 ', '9 . Combustion heat（KJ/mol）31552 ', '10 . Vapor pressure（kPa,25ºC）08 ', '11 . Solubility 稍Soluble in Water ，易Soluble in 有机溶剂。 ', '12 液相标准热熔(J·mol-1·K-1) 2007']
|
