|
MF:
|
C7H7NO2
|
|
Water_Solubility:
|
NEGLIGIBLE
|
|
Bolling_Point:
|
209.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
137.047684
|
|
More_Info:
|
['1 . Appearance Colourless 结晶。 ', '2 . Density（g/mL,25/4℃） 1137 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）425 5 . Boiling point（ºC,Atmospheric pressure） 204 6 . Boiling point（ºC）（3毫米汞柱）70～72℃（399966Pa） ', '7 . Refractive indexUnknow 8 . Flash point（ºC）95 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 Soluble in Water Ethanol and 苯。']
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|
Melting_Point:
|
42-44 °C(lit.)
|
|
PSA:
|
39.19000
|
|
Flash_Point:
|
95.6±0.0 °C
|
|
Refractive_Index:
|
1.511
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3611 ', '2 . Molar volume 1205 ', '3 . Parachor （902K）3062 ', '4 . Surface tension 416 ', '5 . Polarizability 1431']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 392 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :125 ', '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:
|
137.136
|
|
LogP:
|
0.88
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
