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Molecular_Structure:
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['1 . Molar refractive index 5474 ', '2 . Molar volume 2006 ', '3 . Parachor （902K）4651 ', '4 . Surface tension 288 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2170']
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LogP:
|
3.70
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|
Flash_Point:
|
109.1±12.1 °C
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Refractive_Index:
|
1.458
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FW:
|
182.259
|
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Density:
|
0.9±0.1 g/cm3
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|
Bolling_Point:
|
256.5±19.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 35 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 198 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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Water_Solubility:
|
Insoluble
|
|
PSA:
|
26.30000
|
|
MF:
|
C11H18O2
|
|
More_Info:
|
['1 . Appearance Colourless to 淡Yellow Liquid 。具有类似新鲜清香的叶子气味and 玫瑰香气，味苦。 ', '2 . Density（g/mL,25℃）09164 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）216 ', '6 . Boiling point（ºC, mmHg）Unknow ', '7 . Refractive index1460-1465 ', '8 . Flash point（ºC）95 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,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 Insoluble in Water 。Soluble in 油and 醇。以1:3Soluble in 80％ Ethanol 。']
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|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
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|
Exact_Mass:
|
182.130676
|
