|
MF:
|
C12H8O
|
|
Bolling_Point:
|
287.0±9.0 °C at 760 mmHg
|
|
Exact_Mass:
|
168.057510
|
|
More_Info:
|
['1. Melting point（ºC）865 ', '2. Boiling point（ºC）287，154~155（2666pa） ', '3相对. Density（25℃，4℃）1088699 ', '4常温. Refractive index（n25）1607999 ', '5. Critical temperature（ºC）55085 ', '6. Critical pressure（MPa）364 ', '7临界. Density（g·cm-3）034 ', '8临界体积（cm3·mol-1）495 ', '9临界压缩因子026 ', '10偏心因子0275 ', '11. Flash point（ºC）130 ', '12. Appearance White or 浅Yellow 结晶。 ', '13. Solubility Insoluble in Water ，Soluble in Ethanol 丙酮苯。易Soluble in Ethyl ether 。']
|
|
Melting_Point:
|
80-82 °C(lit.)
|
|
PSA:
|
13.14000
|
|
Flash_Point:
|
135.0±5.5 °C
|
|
Refractive_Index:
|
1.699
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5423 ', '2 . Molar volume 1404 ', '3 . Parachor （902K）3689 ', '4 表面张力（30 dyne/cm）475 ', '5 . Polarizability （05 10-24cm3）2150']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 131 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :170 ', '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']
|
|
FW:
|
168.191
|
|
LogP:
|
4.12
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
