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Refractive_Index:
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n20/D 1.43(lit.)
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Vapor_Pressure:
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3.99mmHg at 25°C
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Flash_Point:
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121 °F
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LogP:
|
1.51570
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Bolling_Point:
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151-152 °C752 mm Hg(lit.)
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PSA:
|
26.30000
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Molecular_Structure:
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['1 . Molar refractive index 3615 ', '2 . Molar volume （m3/mol）1409 ', '3 . Parachor （902K）3187 ', '4 . Surface tension : 261 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1433']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :121 ', '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:
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C7H12O2
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Exact_Mass:
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128.08400
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FW:
|
128.16900
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Density:
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0.917 g/mL at 25 °C(lit.)
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More_Info:
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['1 . Appearance Colourless Liquid ，类似Water 果气味 ', '2 . Density（g/cm3,25℃）0917 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）-70 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,752mmHg）151-152 ', '7 . Refractive index（n20/D）143 ', '8 . Flash point（ºF）121 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（psi,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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 难溶解于Water 的']
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