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Refractive_Index:
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n20/D 1.442(lit.)
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Vapor_Pressure:
|
0.0257mmHg at 25°C
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Flash_Point:
|
152 °F
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LogP:
|
1.19060
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Bolling_Point:
|
80-81 °C20 mm Hg(lit.)
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PSA:
|
34.14000
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Molecular_Structure:
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['1 . Molar refractive index 3494 ', '2 . Molar volume （m3/mol）1386 ', '3 . Parachor （902K）3181 ', '4 . Surface tension : 276 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1367']
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Computational_Chemistry:
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['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '6. TPSA 341 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :113 ', '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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MF:
|
C7H12O2
|
|
Exact_Mass:
|
128.08400
|
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FW:
|
128.16900
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Density:
|
0.953 g/mL at 25 °C(lit.)
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More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mL,25/4℃） 0953 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）80-81 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 1442 ', '8 . Flash point（ºC） 67 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '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 Unknow']
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