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Molecular_Structure:
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['1 . Molar refractive index 4449 ', '2 . Molar volume 1351 ', '3 . Parachor （902K）3502 ', '4 . Surface tension 451 ', '5 . Dielectric constant 242 ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1763']
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Flash_Point:
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146.3±20.5 °C
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Refractive_Index:
|
1.573
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FW:
|
152.190
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Density:
|
1.1±0.1 g/cm3
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Bolling_Point:
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298.3±35.0 °C at 760 mmHg
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Melting_Point:
|
169-172 °C(lit.)
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :25 ', '6. TPSA 405 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :136 ', '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:
|
2.03
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|
Water_Solubility:
|
2 g/L (20 ºC)
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|
PSA:
|
40.46000
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|
MF:
|
C9H12O2
|
|
More_Info:
|
['1 . Appearance White 针状结晶。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）169-172 ', '5 . Boiling point（ºC,Atmospheric pressure）295 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）191 ', '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 丙酮等极性溶剂，微Soluble in 冷Water 石油醚苯等溶剂，Soluble in 热Water ，受热or 暴露于Atmosphere 中易氧化变色。']
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Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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Exact_Mass:
|
152.083725
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