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Molecular_Structure:
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['1. Molar refractive index 1751 ', '2 . Molar volume 726 ', '3 . Parachor （902K）1733 ', '4 . Surface tension 323 ', '5 . Polarizability 694 ', '6 . Dielectric constant 未确定']
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LogP:
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0.48100
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Flash_Point:
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125 °F
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Refractive_Index:
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n20/D 1.386(lit.)
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FW:
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77.09700
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Density:
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1.03 g/mL at 25ºC(lit.)
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Bolling_Point:
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141ºC(lit.)
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :402 ', '10. Isotope Atom Count :3 ', '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:
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-24--23ºC(lit.)
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PSA:
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37.30000
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MF:
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C3H3D3O2
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More_Info:
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['1．. Appearance 不可用 2． . Density（g/mL,25/4 ℃ ） 103 3． . Relative vapor density（g/mL,Atmosphere =1） 不可用 ', '4．. Melting point（ºC）-24 5． . Boiling point（ºC,Atmospheric pressure） 141 6． . Boiling point（ºC,52kPa） 不可用 ', '7．. Refractive index1386 8． . Flash point（ºC）54 9． . Specific rotation（º） 不可用 ', '10．. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '11．. Vapor pressure（kPa,25ºC）不可用 ', '12．. Saturated vapor pressure（kPa,60ºC）不可用 ', '13．. Combustion heat（KJ/mol）不可用 ', '14．. Critical temperature（ºC）不可用 ', '15．. Critical pressure（KPa）不可用 ', '16．. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '17．. Upper limit of explosion（%,V/V）不可用 ', '18．. Lower limit of explosion（%,V/V）不可用 ', '19．. Solubility 不可用']
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Vapor_Pressure:
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4.23mmHg at 25°C
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Exact_Mass:
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77.05560
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