|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1162g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）30-34°C(lit)5. Boiling point（ºC,Atmospheric pressure）115-118°C16mm Hg(lit)6. Boiling point（ºC,52kPa）Unknow 7 . Refractive index 153-1532 8 . Flash point（ºC） >230°F', ' 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']
|
|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
|
PSA:
|
30.21000
|
|
Flash_Point:
|
97.8±11.4 °C
|
|
LogP:
|
1.76
|
|
Bolling_Point:
|
115-118 ºC (16 mmHg)
|
|
FW:
|
136.148
|
|
MF:
|
C8H8O2
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3546 ', '2 . Molar volume （m3/mol）1155 ', '3 . Parachor （902K）2929 ', '4 . Surface tension 413 ', '5 . Polarizability 1406']
|
|
Computational_Chemistry:
|
['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 302 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :153 ', '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']
|
|
Exact_Mass:
|
136.052429
|
|
Melting_Point:
|
30-34 °C(lit.)
|
|
Refractive_Index:
|
1.53-1.532
|
|
Density:
|
1.162
|
