|
MF:
|
C7H12O
|
|
Bolling_Point:
|
170.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
112.088814
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ', '2 相对. Density 20/4℃ 0914 ', '3 折光率（n20）14451 ', '4 . Flash point48℃ ', '5 . Melting point-406℃ ', '6 . Boiling point170℃ ', '7 . Solubility Soluble in 醇；醚，Insoluble in Water 。 ', '8 相对. Density（20℃，4℃）09156 ', '9 相对. Density（25℃，4℃）0907330']
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|
Melting_Point:
|
-41 °C
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
40.6±0.0 °C
|
|
Refractive_Index:
|
1.442
|
|
Density:
|
0.9±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3250 ', '2 . Molar volume 1229 ', '3 . Parachor （902K）2838 ', '4 . Surface tension 284 ', '5 . Polarizability 1288']
|
|
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 :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :866 ', '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:
|
112.170
|
|
LogP:
|
1.25
|
|
Vapor_Pressure:
|
1.5±0.3 mmHg at 25°C
|
