|
Refractive_Index:
|
1.501
|
|
Vapor_Pressure:
|
0.0±0.4 mmHg at 25°C
|
|
Flash_Point:
|
100.3±13.4 °C
|
|
LogP:
|
2.41
|
|
Bolling_Point:
|
243.5±0.0 °C at 760 mmHg
|
|
PSA:
|
26.30000
|
|
Molecular_Structure:
|
['1. Molar refractive index 4759 ', '2. Molar volume 1614 ', '3. Parachor （902K）3889 ', '4. Surface tension 336 ', '5. Dielectric constant N/A ', '6. Polarizability 1886 ', '7. Single isotope mass 16408373 Da ', '8. Nominal mass 164 Da ', '9. Average mass 1642011 Da']
|
|
Computational_Chemistry:
|
['1. XlogP 22 ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count 3 ', '5. Isotope Atom Count 2 ', '6. TPSA 263 ', '7. Heavy Atom Count 12 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 154 ', '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:
|
36-40ºC(lit.)
|
|
MF:
|
C10H12O2
|
|
Exact_Mass:
|
164.083725
|
|
FW:
|
164.201
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）36-40 ', '5. Boiling point（ºC,Atmospheric pressure）243-244 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）>230 ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）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 Unknow']
|
