Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 2683 ', '2 . Molar volume (m3/mol)972 ', '3 . Parachor (902K)2521 ', '4 . Surface tension 452 ', '5 . Dielectric constant N/A ', '6 偶极距(10 -24cm 3)N/A ', '7 . Polarizability 1063']
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LogP:
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-0.22
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Flash_Point:
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126.9±21.8 °C
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Refractive_Index:
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1.464
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FW:
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119.549
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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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286.2±20.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :-01 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 44 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :849 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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PSA:
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44.02000
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MF:
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C4H6ClNO
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More_Info:
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['1 . Appearance Colourless to 淡Yellow Liquid ', '2 . Density(g/mL,20℃)1250 ', '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,01KPa)110 ', '7 . Refractive indexn20/D 1474 ', '8 . Flash point(ºC)>110 ', '9 . Specific rotation(º)11 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,20ºC)Unknow ', '12 . Saturated vapor pressure(KPa,20ºC)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±1.3 mmHg at 25°C
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Exact_Mass:
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119.013794
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