|
Refractive_Index:
|
1.554
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
94.4±14.0 °C
|
|
LogP:
|
2.59
|
|
Bolling_Point:
|
238.4±10.0 °C at 760 mmHg
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4326 ', '2 . Molar volume 1350 ', '3 . Parachor （902K）3357 ', '4 . Surface tension 382 ', '5 . Polarizability 1715 ', '6 . Dielectric constant 未确定']
|
|
Computational_Chemistry:
|
['1. XlogP :22 ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :174 ', '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:
|
C10H10O
|
|
Exact_Mass:
|
146.073166
|
|
FW:
|
146.186
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,25℃）1064 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,5hPa）93-95（5332pa） ', '7 . Refractive index（n20/D） 1555 ', '8 . Flash point（ºC）＞11300 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（211ºC，atm）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']
|
