|
Refractive_Index:
|
1.399
|
|
Vapor_Pressure:
|
3.1±0.3 mmHg at 25°C
|
|
Flash_Point:
|
47.9±11.4 °C
|
|
LogP:
|
0.26
|
|
Bolling_Point:
|
154.8±13.0 °C at 760 mmHg
|
|
Water_Solubility:
|
19.8 g/L (25 ºC)
|
|
PSA:
|
35.53000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3332 ', '2 . Molar volume 1377 ', '3 . Parachor （902K）3126 ', '4 . Surface tension 265 ', '5 . Polarizability 1321']
|
|
Computational_Chemistry:
|
['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 355 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :903 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
-87 °C
|
|
MF:
|
C6H12O3
|
|
Exact_Mass:
|
132.078644
|
|
FW:
|
132.158
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25℃）096 ', '3 相对. Density（20℃，4℃）09677 ', '4 . Melting point（ºC）-87 ', '5 . Boiling point（ºC,Atmospheric pressure）146740 ', '6 . Boiling point（ºC, mm Hg）Unknow ', '7 . Refractive index（D20)14028 ', '8 . Flash point（ºC）42 ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: 315 ', '11 临界. Density（g·cm-3）0306 ', '12 临界体积（cm3·mol-1）432 ', '13临界压缩因子0262 ', '14 . Critical temperature（ºC）324-65 ', '15 . Critical pressure（MPa）301 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）131 ', '18 . Lower limit of explosion（%,V/V）13 ', '19 . Solubility Unknow']
|
