Refractive_Index:
|
1.538
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
Flash_Point:
|
124.3±14.4 °C
|
LogP:
|
1.42
|
Bolling_Point:
|
306.0±17.0 °C at 760 mmHg
|
Water_Solubility:
|
6 g/L (20 ºC)
|
PSA:
|
46.53000
|
Molecular_Structure:
|
['1 . Molar refractive index 4404 ', '2 . Molar volume 1408 ', '3 . Parachor (902K)3623 ', '4 . Surface tension 437 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 1746']
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :148 ', '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:
|
84-86 °C(lit.)
|
MF:
|
C9H10O3
|
Exact_Mass:
|
166.062988
|
FW:
|
166.174
|
Density:
|
1.2±0.1 g/cm3
|
More_Info:
|
['1 . Appearance White 片状结晶体 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)84-86 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, 3mmHg)140 ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)193 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC): Unknow ', '11 . Vapor pressure(mmHg,202ºC)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 易Soluble in Ethanol ,Soluble in Ethyl ether ,Insoluble in Water 。']
|