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Molecular_Structure:
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['1 . Molar refractive index 5569 ', '2 . Molar volume （m3/mol）1562 ', '3 . Parachor （902K）4221 ', '4 . Surface tension 532 ', '5 . Polarizability 2208']
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LogP:
|
3.72
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|
Flash_Point:
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127.9±23.4 °C
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|
Refractive_Index:
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1.631
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FW:
|
188.223
|
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Density:
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1.2±0.1 g/cm3
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|
Bolling_Point:
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312.0±35.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 255 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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|
PSA:
|
26.30000
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|
MF:
|
C12H12O2
|
|
More_Info:
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['1. Appearance Liquid 2. Density（g/mL,25℃）11033. Relative vapor density（g/mL,Atmosphere =1）4. Melting point（ºC）5. Boiling point（ºC,）108-110°C（01mmHg）6. Boiling point（ºC,） 139-142 °C5 mm Hg(lit)7. Refractive indexn20/D 1577(lit)8. Flash point（ºC）>230 °F9. Specific rotation（º） 10. Spontaneous ignition point or ignition temperature（ºC） 11. Vapor pressure（kPa,25ºC） 12. Saturated vapor pressure（kPa,60ºC） 13. Combustion heat（KJ/mol）14. Critical temperature（ºC） 15. Critical pressure（KPa） 16. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 17. Upper limit of explosion（%,V/V）18. Lower limit of explosion（%,V/V） 19. Solubility ']
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Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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|
Exact_Mass:
|
188.083725
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