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Molecular_Structure:
|
['1 . Molar refractive index 4081 ', '2 . Molar volume （m3/mol）1157 ', '3 . Parachor （902K）2988 ', '4 . Surface tension 444 ', '5 . Polarizability 1618']
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|
Flash_Point:
|
101 °F
|
|
Refractive_Index:
|
n20/D 1.49(lit.)
|
|
FW:
|
120.19200
|
|
Density:
|
0.893 g/mL at 25 °C(lit.)
|
|
Bolling_Point:
|
146 °C(lit.)
|
|
Computational_Chemistry:
|
['1. XlogP :22 ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count ', '6. TPSA :0 ', '766. Heavy Atom Count 9 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 175 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 2 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
LogP:
|
2.52870
|
|
Vapor_Density:
|
4.1 (vs air)
|
|
MF:
|
C9H12
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）0893g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow 5 . Boiling point（ºC,Atmospheric pressure） 146°C(lit) 6 . Boiling point（ºC,52kPa） Unknow ', '7. Refractive indexn 20/D 149(lit) ', '8. Flash point（ºC）101°F ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）Unknow ', '12. Saturated vapor pressure（kPa,60ºC）Unknow ', '13. Combustion heat（KJ/mol）Unknow ', '14. Critical temperature（ºC）Unknow ', '15. Critical pressure（KPa）Unknow ', '16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17. Upper limit of explosion（%,V/V）Unknow ', '18. Lower limit of explosion（%,V/V）Unknow ', '19. Solubility Unknow']
|
|
Vapor_Pressure:
|
5.98mmHg at 25°C
|
|
Exact_Mass:
|
120.09400
|
