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Molecular_Structure:
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['1 . Molar refractive index 4395 ', '2 . Molar volume （m3/mol）1428 ', '3 . Parachor （902K）3668 ', '4 . Surface tension 435 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1742']
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Flash_Point:
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100.2±19.8 °C
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Refractive_Index:
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1.528
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FW:
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171.217
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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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242.1±13.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 674 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :151 ', '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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LogP:
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1.61
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|
PSA:
|
67.43000
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|
MF:
|
C7H9NO2S
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|
More_Info:
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['1 . Appearance Colourless or 者浅Yellow Liquid 。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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 几乎Insoluble in Water ，Soluble in 醇类，丙酮。']
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Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
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Exact_Mass:
|
171.035400
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