|
FW:
|
122.121
|
|
MF:
|
C7H6O2
|
|
Water_Solubility:
|
SOLUBLE
|
|
Refractive_Index:
|
1.618
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Bolling_Point:
|
240.9±13.0 °C at 760 mmHg
|
|
Exact_Mass:
|
122.036781
|
|
PSA:
|
37.30000
|
|
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 :3 ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :101 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3488 ', '2 . Molar volume 995 ', '3 . Parachor （902K）2673 ', '4 . Surface tension 520 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1383']
|
|
LogP:
|
1.25
|
|
Melting_Point:
|
100-103 °C(lit.)
|
|
Flash_Point:
|
98.6±12.4 °C
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or 淡Yellow 结晶状Solid 。 ', '2相对. Density（25℃，4℃）110111504 ', '3 相对. Density(d1304) 11179 ', '4 . Melting point（ºC）108 ', '5 . Boiling point（ºC,Atmospheric pressure）240，191ºC(6665pa) ', '6 . Boiling point（ºC, 61KPa）191 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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, 20ºC）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 微Soluble in Water ，Soluble in 热Water Ethanol 丙酮 Ethyl ether and 苯。']
|
