|
MF:
|
C8H11NO
|
|
Water_Solubility:
|
insoluble,
|
|
Bolling_Point:
|
249.4±20.0 °C at 760 mmHg
|
|
Exact_Mass:
|
137.084061
|
|
More_Info:
|
['1 . Density（g/mL,25℃）1065 ', '2 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '3 . Melting point（ºC）13-14 ', '4 . Boiling point（ºC,Atmospheric pressure）248-249 ', '5 . Boiling point（ºC, mmHg） ', '6 . Refractive index1565 ', '7 . Flash point（ºC）124 ', '8 . Specific rotation（º）Unknow ', '9 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '10 . Vapor pressure（mmHg,20ºC）Unknow ', '11 . Saturated vapor pressure（kPa, ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow ', '18 . Solubility Unknow']
|
|
Melting_Point:
|
13-14 °C(lit.)
|
|
PSA:
|
35.25000
|
|
Flash_Point:
|
113.5±15.0 °C
|
|
Refractive_Index:
|
1.549
|
|
Density:
|
1.0±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4199 ', '2 . Molar volume 1319 ', '3 . Parachor （902K）3274 ', '4 . Surface tension 378 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3）7 . Polarizability 1664']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 352 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :105 ', '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']
|
|
FW:
|
137.179
|
|
LogP:
|
1.20
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
