|
FW:
|
154.24900
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|
Refractive_Index:
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n20/D 1.462(lit.)
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Vapor_Pressure:
|
0.0905mmHg at 25°C
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|
Flash_Point:
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84.9ºC
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|
LogP:
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2.66980
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Bolling_Point:
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198.5ºC at 760 mmHg
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More_Info:
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['1 . Appearance Colourless 透明to 浅Yellow Liquid ，有强烈的铃兰香气，并有木香香调。 ', '2 . Density（g/mL,25℃） 0861 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）198 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n 20/D） 1462 ', '8 . Flash point（ºC）849 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）233 ', '11 . Vapor pressure（mmHg,25ºC）017 ', '12 . Saturated vapor pressure（kPa,60ºC）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）52 ', '18 . Lower limit of explosion（%,V/V）09 ', '19 . Solubility H2O:145g/L (25°C)。']
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Computational_Chemistry:
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['1 . XlogP 27 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 154 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '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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MF:
|
C10H18O
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Exact_Mass:
|
154.13600
|
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Molecular_Structure:
|
['1. Molar refractive index 495 ', '2. Molar volume 1796 ', '3. Parachor （902K）4142 ', '4. Surface tension 282 ', '5. Dielectric constant N/A ', '6. Polarizability 1962 ', '7. Single isotope mass 154135765 Da ', '8. Nominal mass 154 Da ', '9. Average mass 1542493 Da']
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Density:
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0.858 g/cm3
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PSA:
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20.23000
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