|
Refractive_Index:
|
1.546
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
99.8±14.4 °C
|
|
LogP:
|
2.42
|
|
Bolling_Point:
|
243.4±20.0 °C at 760 mmHg
|
|
PSA:
|
37.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4298 ', '2 . Molar volume 1356 ', '3 . Parachor （902K）3451 ', '4 . Surface tension : 418 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1704']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :9 ', '6. TPSA 373 ', '7. Heavy Atom Count :11 ', '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:
|
45-48 °C(lit.)
|
|
MF:
|
C9H10O2
|
|
Exact_Mass:
|
150.068085
|
|
FW:
|
150.174
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Yellow 晶体。 ', '2 . Density（g/mL,53/4℃） 1079 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-48 ', '5 . Boiling point（ºC,Atmospheric pressure）210；112~114ºC(16kpa) ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 15343 ', '8 . Flash point（ºC） ＞110 ', '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']
|
