|
Refractive_Index:
|
1.41
|
|
Vapor_Pressure:
|
26.1mmHg at 25°C
|
|
Flash_Point:
|
6.7ºC
|
|
LogP:
|
2.99870
|
|
Bolling_Point:
|
112.1ºC at 760mmHg
|
|
FW:
|
112.21300
|
|
More_Info:
|
['1. Appearance Unknow 2 . Density（g/mL,25/4 ℃ ） 072 3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4. Melting point（ºC）Unknow 5 . Boiling point（ºC,Atmospheric pressure）111 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow 8 . Flash point（ºC） 8 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']
|
|
Computational_Chemistry:
|
['1. XlogP :38 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :721 ', '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']
|
|
MF:
|
C8H16
|
|
Exact_Mass:
|
112.12500
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3863 ', '2 . Molar volume （m3/mol）1558 ', '3 . Parachor （902K）3330 ', '4 . Surface tension 208 ', '5 . Polarizability 1531']
|
|
Density:
|
0.719g/cm3
|
