|
Bolling_Point:
|
267.8±40.0 °C at 760 mmHg
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
LogP:
|
3.70
|
|
More_Info:
|
['1 . Appearance Yellow Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）99-103 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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']
|
|
Computational_Chemistry:
|
['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :4 ', '6. TPSA 544 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :224 ', '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:
|
99-103ºC(lit.)
|
|
Exact_Mass:
|
206.094299
|
|
MF:
|
C12H14O3
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Refractive_Index:
|
1.590
|
|
PSA:
|
54.37000
|
|
Flash_Point:
|
130.0±23.8 °C
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 6002 ', '2 . Molar volume （m3/mol）1778 ', '3 . Parachor （902K）4604 ', '4 . Surface tension 448 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2379']
|
|
FW:
|
206.238
|
