|
FW:
|
158.23800
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|
Refractive_Index:
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n20/D 1.412(lit.)
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Flash_Point:
|
125 °F
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|
LogP:
|
2.51990
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Bolling_Point:
|
187 °C(lit.)
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|
More_Info:
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['1 . Appearance Colourless Liquid 。有芳香气味。 ', '2 相对. Density（25℃，4℃）0858730 ', '3 相对. Density（20℃，4℃）08672 ', '4 . Melting point（ºC）-68 ', '5 . Boiling point（ºC,Atmospheric pressure）187 ', '6 常温. Refractive index（n20）14170 ', '7 . Refractive index14170 ', '8 . Flash point（ºC）52 ', '9 常温. Refractive index（n25）14109 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）061 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）424 ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 337 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in Ethanol and Ethyl ether ，Insoluble in Water 。']
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Computational_Chemistry:
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['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :997 ', '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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Melting_Point:
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−69 °C(lit.)
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MF:
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C9H18O2
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Exact_Mass:
|
158.13100
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Molecular_Structure:
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['1 . Molar refractive index 4551 ', '2 . Molar volume 1805 ', '3 . Parachor （902K）4149 ', '4 . Surface tension 278 ', '5 . Polarizability 1804']
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Density:
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0.867 g/mL at 25 °C(lit.)
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PSA:
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26.30000
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