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MF:
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C9H18O2
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Bolling_Point:
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169-171 °C(lit.)
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Exact_Mass:
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158.13100
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More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）0856 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）169-171 ', '6 . Boiling point（ºC，035mmHg）Unknow ', '7 . Refractive indexn 20/D 1406(lit) ', '8 . Flash point（°F）129 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Unknow']
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Melting_Point:
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-70ºC
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PSA:
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26.30000
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Flash_Point:
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129 °F
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Computational_Chemistry:
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['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 117 ', '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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Density:
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0.856 g/mL at 25 °C(lit.)
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|
Molecular_Structure:
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['1. Molar refractive index 4543 ', '2. Molar volume 1813 ', '3. Parachor （902K）4097 ', '4. Surface tension 26 ', '5. Dielectric constant N/A ', '6. Polarizability 1801 ', '7. Single isotope mass 15813068Da ', '8. Nominal mass 158Da ', '9. Average mass 158238Da']
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Vapor_Pressure:
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1.89mmHg at 25°C
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|
FW:
|
158.23800
|
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LogP:
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2.23170
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Refractive_Index:
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n20/D 1.406(lit.)
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