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Refractive_Index:
|
1.444
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Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
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|
Flash_Point:
|
86.7±19.9 °C
|
|
LogP:
|
4.54
|
|
Bolling_Point:
|
256.2±19.0 °C at 760 mmHg
|
|
FW:
|
198.302
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1 . XlogP 38 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 9 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 162 ', '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']
|
|
MF:
|
C12H22O2
|
|
Exact_Mass:
|
198.161987
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5947 ', '2 . Molar volume 2237 ', '3 . Parachor （902K）5215 ', '4 . Surface tension 295 ', '5 . Dielectric constant ', ' 6 偶极距（10-24cm3） ', ' 7 . Polarizability 2357']
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless to 淡Yellow Liquid ，呈强烈的弥散性Water 果青香香气，有梨似味道 ', '2 . Density（g/mL,25℃）0878 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2KPa）112 ', '7 . Refractive index（n20/D） 1473 ', '8 . Flash point（ºC）1044 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Soluble in Ethanol 丙二醇and 大多数非挥发性油类，Insoluble in Water ']
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