|
FW:
|
142.196
|
|
MF:
|
C8H14O2
|
|
Water_Solubility:
|
insoluble
|
|
Refractive_Index:
|
1.473
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Bolling_Point:
|
247.2±8.0 °C at 760 mmHg
|
|
Exact_Mass:
|
142.099380
|
|
PSA:
|
37.30000
|
|
Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :10 ', '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']
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3858 ', '2 . Molar volume （m3/mol）1374 ', '3 . Parachor （902K）3459 ', '4 . Surface tension 401 ', '5 . Polarizability 1529']
|
|
LogP:
|
2.27
|
|
Flash_Point:
|
122.0±9.8 °C
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 形状Colourless Liquid ', '2. Density（g/mL ,25/4℃）0996 ', '3. Refractive index（nD20）1456-1458 ', '4. Flash point（℃）46 ', '5. Boiling point（ºC,12 mmHg）130-132 ', '6 . Spontaneous ignition point or ignition temperature（ºC）47 ', '7 . Solubility Insoluble in Water ']
|
