|
Refractive_Index:
|
1.630
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
168.4±28.4 °C
|
|
LogP:
|
1.36
|
|
Bolling_Point:
|
341.7±17.0 °C at 760 mmHg
|
|
PSA:
|
32.86000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5274 ', '2 . Molar volume （m3/mol）1483 ', '3 张比容（902K）3921 ', '4 . Surface tension :488 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2090']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 329 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :202 ', '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']
|
|
Melting_Point:
|
115ºC ± 2ºC
|
|
MF:
|
C11H11NO
|
|
Exact_Mass:
|
173.084061
|
|
FW:
|
173.211
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 浅Yellow 结晶 2 . Density（g/mL,25℃）1167 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC）113-116 5 . Boiling point（ºC,Atmospheric pressure）342 ', '6 . Boiling point（ºC,9mm）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow 11 . Vapor pressure（ psi,55ºC ） 79E-5 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']
|
