|
Refractive_Index:
|
1.420
|
|
Vapor_Pressure:
|
1.2±0.3 mmHg at 25°C
|
|
Flash_Point:
|
62.7±14.4 °C
|
|
LogP:
|
1.02
|
|
Bolling_Point:
|
174.6±13.0 °C at 760 mmHg
|
|
FW:
|
144.168
|
|
PSA:
|
35.53000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 355 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :109 ', '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']
|
|
MF:
|
C7H12O3
|
|
Exact_Mass:
|
144.078644
|
|
Molecular_Structure:
|
['1. Molar refractive index 3772 ', '2. Molar volume 149 ', '3. Parachor （902K）344 ', '4. Surface tension 284 ', '5. Dielectric constant N/A ', '6. Polarizability 1495 ', '7. Single isotope mass 144078644 Da ', '8. Nominal mass 144 Da ', '9. Average mass 1441684 Da']
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,16mmHg65 ', '7 . Refractive indexn20/D 1427(lit) ', '8 . Flash point（ºC）65 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,178C）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 Unknow']
|
