|
PSA:
|
26.30000
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|
Bolling_Point:
|
191.1±3.0 °C at 760 mmHg
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4551 ', '2 . Molar volume 1805 ', '3 . Parachor （902K）4149 ', '4 . Surface tension 278 ', '5 . Polarizability 1804']
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LogP:
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3.37
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|
More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,20℃）08775 ', '3 相对. Density（25℃，4℃）0806899 ', '4 . Melting point（ºC）-40 ', '5 . Boiling point（ºC,Atmospheric pressure）193~194 ', '6 相对. Density（20℃，4℃）08775 ', '7 . Refractive index(n20D)1418 ', '8 . Flash point（ºC）73 ', '9 常温. Refractive index（n20）14170 ', '10 气相标准. Combustion heat(焓)(kJ·mol-1)-558016 ', '11 气相标准声称热(焓)( kJ·mol-1) -53388 ', '12 液相标准. Combustion heat(焓)(kJ·mol-1)-552376 ', '13 液相标准声称热(焓)( kJ·mol-1)-59028 ', '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 Insoluble in Water ，易Soluble in Ethanol Ethyl ether 。']
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MF:
|
C9H18O2
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|
Computational_Chemistry:
|
['1 . XlogP 36 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '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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-40°C
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Refractive_Index:
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1.418
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Flash_Point:
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72.8±0.0 °C
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|
FW:
|
158.238
|
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Exact_Mass:
|
158.130676
|
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Vapor_Pressure:
|
0.5±0.4 mmHg at 25°C
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Density:
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0.9±0.1 g/cm3
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