|
Refractive_Index:
|
1.442
|
|
Vapor_Pressure:
|
1.6±0.3 mmHg at 25°C
|
|
Flash_Point:
|
51.7±0.0 °C
|
|
LogP:
|
1.25
|
|
Bolling_Point:
|
169.0±0.0 °C at 760 mmHg
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 3250 ', '2 . Molar volume 1229 ', '3 . Parachor （902K）2838 ', '4 . Surface tension 284 ', '5 . Polarizability 1288']
|
|
Computational_Chemistry:
|
['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :966 ', '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:
|
-73 °C
|
|
MF:
|
C7H12O
|
|
Exact_Mass:
|
112.088814
|
|
FW:
|
112.170
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1. Boiling point（ºC）167~169 ', '2. Melting point（ºC）-745 ', '3相对. Density（20℃，4℃）09155 ', '4相对. Density（25℃，4℃）0906930 ', '5常温. Refractive index(n20D) 14456 ', '6 . Flash point（ºC）51 ', '7 . Solubility Insoluble in Water ，Soluble in Ethanol Ethyl ether 。']
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