Molecular_Structure:
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['1. Molar refractive index 2949 ', '2. Molar volume 939 ', '3. Parachor (902K)2639 ', '4. Surface tension 622 ', '5. Dielectric constant N/A ', '6. Polarizability 1169 ', '7. Single isotope mass 131058243Da ', '8. Nominal mass 131Da ', '9. Average mass 1311299Da']
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Flash_Point:
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168.6±27.9 °C
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Refractive_Index:
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1.540
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FW:
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131.130
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Density:
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1.4±0.1 g/cm3
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Bolling_Point:
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355.2±42.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP -25 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 77 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 120 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 2 ', '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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-1.66
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Melting_Point:
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235ºC
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PSA:
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69.56000
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MF:
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C5H9NO3
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More_Info:
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['1 . Appearance White or 浅米色粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)235 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,1mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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)10 ', '18 . Lower limit of explosion(%,V/V)6 ', '19 . Solubility Unknow']
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Vapor_Pressure:
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0.0±1.8 mmHg at 25°C
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Exact_Mass:
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131.058243
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