MF:
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C5H6O3
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Bolling_Point:
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218.3±40.0 °C at 760 mmHg
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Exact_Mass:
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114.031693
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More_Info:
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['1 . Appearance Yellow 粉末 ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/L,Atmosphere =1)Unknow ', '4 . Melting point(ºC)129-133 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, 5hPa)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(20ºC)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 Unknow']
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Melting_Point:
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129-133 °C(lit.)
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PSA:
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46.53000
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Flash_Point:
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97.5±20.8 °C
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Refractive_Index:
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1.545
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Density:
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1.4±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 2607 ', '2 . Molar volume (m3/mol)825 ', '3 . Parachor (902K)2232 ', '4 . Surface tension 536 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1033']
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Computational_Chemistry:
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['1. XlogP :03 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :8 ', '6. TPSA 465 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :157 ', '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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FW:
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114.099
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LogP:
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-0.15
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Vapor_Pressure:
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0.0±0.9 mmHg at 25°C
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