Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4231 ', '2 . Molar volume (m3/mol)1161 ', '3 . Parachor (902K)3311 ', '4 . Surface tension 659 ', '5 . Dielectric constant N/A ', '6 偶极距(10 -24cm 3)N/A ', '7 . Polarizability 1677']
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Flash_Point:
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163.4±23.7 °C
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Refractive_Index:
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1.649
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FW:
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171.581
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Density:
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1.5±0.1 g/cm3
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Bolling_Point:
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346.5±27.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 633 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :163 ', '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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1.30
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Melting_Point:
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154-160ºC(lit.)
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PSA:
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63.32000
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MF:
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C7H6ClNO2
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More_Info:
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['1 . Appearance Unknow ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)154-160 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,50mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(°C)Unknow ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,110ºC)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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Vapor_Pressure:
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0.0±0.8 mmHg at 25°C
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Exact_Mass:
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171.008713
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