|
Refractive_Index:
|
1.489
|
|
Vapor_Pressure:
|
0.1±0.9 mmHg at 25°C
|
|
Flash_Point:
|
86.0±13.0 °C
|
|
LogP:
|
0.29
|
|
Bolling_Point:
|
205.0±8.0 °C at 760 mmHg
|
|
Water_Solubility:
|
240 g/L (20 ºC)
|
|
PSA:
|
40.46000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4011 ', '2 . Molar volume 1390 ', '3 . Parachor （902K）3522 ', '4 . Surface tension 412 ', '5 . Polarizability 1590']
|
|
Computational_Chemistry:
|
['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :160 ', '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:
|
90-94 °C(lit.)
|
|
MF:
|
C8H14O2
|
|
Exact_Mass:
|
142.099380
|
|
FW:
|
142.196
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Appearance White 液or 茶色晶体 ', '2 . Density（g/mL,20℃）0949 ', '3 . Melting point（ºC）90-94ºC ', '4 . Boiling point（ºC,Atmospheric pressure）205-206ºC ', '5 . Flash point（ºC）102 ', '6. Solubility 20℃时在Water 中的溶解度为270%，Soluble in 丙酮乙二醇甲乙酮。 ', '7晶相相标准. Combustion heat(焓)(kJ·mol-1)-47632 ', '8晶相标准声称热(焓)( kJ·mol-1)-3857']
|
