Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 2857 ', '2 . Molar volume (m3/mol)897 ', '3 . Parachor (902K)252,2 ', '4 . Surface tension 623 ', '5 . Dielectric constant N/A ', '6 偶极距(10 -24cm 3)N/A ', '7 . Polarizability 1132']
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Flash_Point:
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144.3ºC
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Refractive_Index:
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1.549
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FW:
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129.11400
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Density:
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1.438g/cm3
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Bolling_Point:
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314.9ºC at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP -14 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 7 ', '6 . TPSA 576 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 166 ', '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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Melting_Point:
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82-87ºC(lit.)
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PSA:
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57.61000
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MF:
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C5H7NO3
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More_Info:
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['1 . Appearance 晶体 ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)82-87 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,5mmHg)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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3.87E-05mmHg at 25°C
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Exact_Mass:
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129.04300
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