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Molecular_Structure:
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['1 . Molar refractive index 5677 ', '2 . Molar volume 1902 ', '3 . Parachor （902K）4741 ', '4 . Surface tension 385 ', '5 . Polarizability 2250 ', '6 . Dielectric constant 未确定']
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|
LogP:
|
2.33
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|
Flash_Point:
|
125.4±20.4 °C
|
|
Refractive_Index:
|
1.509
|
|
FW:
|
206.238
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
293.1±15.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :3 ', '6. TPSA 434 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :235 ', '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']
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|
PSA:
|
43.37000
|
|
MF:
|
C12H14O3
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mLat 25°C）1083 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）273-274 ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）15290 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）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']
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
206.094299
|
