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Molecular_Structure:
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['1 . Molar refractive index 3387 ', '2 . Molar volume （m3/mol）1224 ', '3 . Parachor （902K）3114 ', '4 . Surface tension 418 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1342']
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Flash_Point:
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106.8±17.3 °C
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Refractive_Index:
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1.465
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FW:
|
126.153
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Density:
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1.0±0.1 g/cm3
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Bolling_Point:
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231.4±23.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :129 ', '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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1.19
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|
Melting_Point:
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22ºC
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PSA:
|
37.30000
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MF:
|
C7H10O2
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More_Info:
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['1 . Appearance 淡Yellow ', '2 . Density（g/mL,25/4℃）0997 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）22 ', '5 . Boiling point（ºC,Atmospheric pressure）93-94/1mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1451 ', '8 . Flash point（ºC）大于113 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
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Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
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|
Exact_Mass:
|
126.068077
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