Refractive_Index:
|
1.670
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
Flash_Point:
|
154.4±11.0 °C
|
LogP:
|
2.53
|
Bolling_Point:
|
340.7±15.0 °C at 760 mmHg
|
PSA:
|
32.26000
|
Molecular_Structure:
|
['1 . Molar refractive index 5750 ', '2 . Molar volume 1539 ', '3 . Parachor (902K)4156 ', '4 . Surface tension 531 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 2279']
|
Computational_Chemistry:
|
['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :9 ', '6. TPSA 323 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :166 ', '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:
|
81-82°C
|
MF:
|
C12H11NO
|
Exact_Mass:
|
185.084061
|
FW:
|
185.222
|
Density:
|
1.2±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 为红棕色熔铸体,精制品为橙色。 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)75-80 ', '5 . Boiling point(ºC,Atmospheric pressure)340 ', '6 . Boiling point(ºC,2mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)340 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC): Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa, ºC)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']
|