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FW:
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174.281
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MF:
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C10H22O2
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Water_Solubility:
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Insoluble
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Refractive_Index:
|
1.458
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Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
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|
Bolling_Point:
|
305.4±10.0 °C at 760 mmHg
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|
Exact_Mass:
|
174.161987
|
|
PSA:
|
40.46000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :642 ', '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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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 5144 ', '2 . Molar volume 1886 ', '3 . Parachor （902K）4634 ', '4 . Surface tension 364 ', '5 . Polarizability 2039']
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|
LogP:
|
2.06
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|
Melting_Point:
|
70-73 °C
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|
Flash_Point:
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141.7±13.6 °C
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|
Density:
|
0.9±0.1 g/cm3
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|
More_Info:
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['1 . Appearance White 针状结晶。 ', '2 相对. Density（25℃，4℃）08504130 ', '3 相对. Density（20℃，4℃）088380 ', '4 . Melting point（ºC）73 ', '5 . Boiling point（ºC,Atmospheric pressure）175515 ', '6 . Boiling point（ºC, 267KPa）192 ', '7 晶相相标准. Combustion heat(焓)(kJ·mol-1)-63858 ', '8 晶相标准声称热(焓)( kJ·mol-1)-6935 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,70ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 易Soluble in 醇and 热 Ethyl ether ，几乎Insoluble in 冷Water and 石油醚。']
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