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Molecular_Structure:
|
['1 . Molar refractive index 5652 ', '2 . Molar volume （m3/mol）1807 ', '3 . Parachor （902K）4549 ', '4 . Surface tension 401 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）2240']
|
|
LogP:
|
1.76160
|
|
Refractive_Index:
|
1.537
|
|
FW:
|
206.23800
|
|
Density:
|
1.14 g/cm3
|
|
Bolling_Point:
|
348ºC at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 355 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :239 ', '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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|
Melting_Point:
|
87-89ºC(lit.)
|
|
PSA:
|
35.53000
|
|
MF:
|
C12H14O3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL 25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）87-89 ', '5 . Boiling point（ºC，03mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°，n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow . Solubility (mg/mL, 25 ºC ) Water Unknow']
|
|
Vapor_Pressure:
|
5.17E-05mmHg at 25°C
|
|
Exact_Mass:
|
206.09400
|
