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Molecular_Structure:
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['1 . Molar refractive index 3437 ', '2 . Molar volume 1141 ', '3 . Parachor （902K）396 ', '4 . Surface tension : 396 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1362']
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Flash_Point:
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73.3±0.0 °C
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Refractive_Index:
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1.514
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FW:
|
121.137
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Density:
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1.1±0.1 g/cm3
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Bolling_Point:
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192.8±13.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 30 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :112 ', '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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LogP:
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0.87
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Melting_Point:
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8-10 °C
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PSA:
|
29.96000
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MF:
|
C7H7NO
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|
More_Info:
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['1 . Appearance Colourless 油状Liquid 。对光敏感。在Atmosphere 中变黄。能随Water 蒸气挥发。 ', '2 . Density（g/mL,25/4℃）1082 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 1467kPa）76-79 ', '7 . Refractive index（n20）15210 ', '8 . Flash point（ºC）73 ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in Ethanol Ethyl ether and 无机酸。']
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Vapor_Pressure:
|
0.5±0.4 mmHg at 25°C
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Exact_Mass:
|
121.052765
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