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Refractive_Index:
|
1.524
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
134.9±16.2 °C
|
|
LogP:
|
3.58
|
|
Bolling_Point:
|
283.3±19.0 °C at 760 mmHg
|
|
Water_Solubility:
|
0.07 g/L (20 ºC)
|
|
PSA:
|
37.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5157 ', '2 . Molar volume 1686 ', '3 . Parachor （902K）4174 ', '4 . Surface tension 375 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2044']
|
|
Computational_Chemistry:
|
['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 183 ', '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:
|
162-165 °C(lit.)
|
|
MF:
|
C11H14O2
|
|
Exact_Mass:
|
178.099380
|
|
FW:
|
178.228
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 针状结晶or 细结晶粉末。 ', '2 . Density（g/mL,25/4℃） 1142 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） 162~165 ', '5 气相标准. Combustion heat(焓)(kJ·mol-1)-59310 ', '6 气相标准声称热(焓)( kJ·mol-1) -3985 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） 180 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-58266 ', '12 晶相标准声称热(焓)( kJ·mol-1)-5029 ', '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 Soluble in Ethanol and 苯，Insoluble in Water 。 ', '20 . Boiling point（ºC）280']
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