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。']
|