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MF:
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C5H8O2
|
|
Bolling_Point:
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112 ºC
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Exact_Mass:
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100.052429
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）0939 ', '3 相对. Density（20℃，4℃）09413 ', '4 相对. Density（25℃，4℃）0917741 ', '5 . Boiling point（ºC,Atmospheric pressure）112 ', '6常温. Refractive index（n20）14091 ', '7 . Refractive index（n20/D）1409 ', '8 . Flash point（ºC）156 ', '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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Refractive_Index:
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1.402
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PSA:
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26.30000
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Flash_Point:
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20 ºC
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Density:
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0.939
|
|
Molecular_Structure:
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['1 . Molar refractive index 2671 ', '2 . Molar volume 1096 ', '3 . Parachor （902K）2448 ', '4 . Surface tension 248 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability 1059']
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Computational_Chemistry:
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['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :761 ', '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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100.116
|
|
LogP:
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1.00
|
|
Vapor_Pressure:
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57.3±0.2 mmHg at 25°C
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