Refractive_Index:
|
1.429
|
Vapor_Pressure:
|
0.5±0.4 mmHg at 25°C
|
Flash_Point:
|
75.6±0.0 °C
|
LogP:
|
1.07
|
Bolling_Point:
|
192.0±15.0 °C at 760 mmHg
|
Water_Solubility:
|
50 g/L (20 ºC)
|
PSA:
|
43.37000
|
Molecular_Structure:
|
['1 . Molar refractive index 3600 ', '2 . Molar volume (m3/mol)1397 ', '3 . Parachor (902K)3294 ', '4 . Surface tension 308 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1427']
|
Computational_Chemistry:
|
['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :149 ', '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:
|
-70 °C
|
MF:
|
C7H10O3
|
Exact_Mass:
|
142.062988
|
FW:
|
142.152
|
Density:
|
1.0±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Colourless Liquid 。 ', '2 . Density(g/mL,20℃)1037 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-85 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,737mmHg)194-195 ', '7 . Refractive index(n 20/D )1439 ', '8 . Flash point(ºC)75 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)75 ', '11 . Vapor pressure(mmHg,20ºC)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 ,50g/L']
|