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MF:
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C12H10O
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Bolling_Point:
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318.0±11.0 °C at 760 mmHg
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Exact_Mass:
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170.073166
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More_Info:
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['1 . Appearance Solid ', '2 . Density(g/mLat 25°C)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)32-36 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,10mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)110 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,37ºC)Unknow ', '12 . Saturated vapor pressure(kPa,1144 ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(MPa)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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32-36 °C(lit.)
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PSA:
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17.07000
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Flash_Point:
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186.5±5.5 °C
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Refractive_Index:
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1.656
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Density:
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1.1±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 5567 ', '2 . Molar volume 1514 ', '3 . Parachor (902K)3938 ', '4 . Surface tension 456 ', '5 . Polarizability 2207 ', '6 . Dielectric constant 未确定']
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Computational_Chemistry:
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['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :4 ', '6. TPSA 171 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :188 ', '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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170.207
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LogP:
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3.33
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Vapor_Pressure:
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0.0±0.7 mmHg at 25°C
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