Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 6378 ', '2 . Molar volume (m3/mol)2121 ', '3 . Parachor (902K)5341 ', '4 . Surface tension 401 ', '5 . Dielectric constant N/A ', '6 偶极距(10 -24cm 3)N/A ', '7 . Polarizability 2528']
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Flash_Point:
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169.4±25.1 °C
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Refractive_Index:
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1.513
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FW:
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329.132
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Density:
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1.6±0.1 g/cm3
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Bolling_Point:
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356.5±32.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :2 ', '6. TPSA 646 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :237 ', '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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LogP:
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2.94
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Melting_Point:
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50-52ºC(lit.)
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PSA:
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64.63000
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MF:
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C9H16INO4
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More_Info:
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['1 . Appearance White 粉末 ', '2 . Density(g/mL 25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºCAtmospheric pressure)50-52 ', '5 . Boiling point(ºC,01mmHg)Unknow ', '6 . Boiling point(ºC,52kPa)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(kPa,25ºC)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 (25℃)Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility (mg/mL) 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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329.012390
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