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Molecular_Structure:
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['1. Molar refractive index 7277 ', '2. Molar volume 2538 ', '3. Parachor （902K）5958 ', '4. Surface tension 303 ', '5. Dielectric constant N/A ', '6. Polarizability 2885 ', '7. Single isotope mass 222198365 Da ', '8. Nominal mass 222 Da ', '9. Average mass 2223663 Da']
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LogP:
|
5.31
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Flash_Point:
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96.1±0.0 °C
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Refractive_Index:
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1.485
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FW:
|
222.366
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Density:
|
0.9±0.1 g/cm3
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|
Bolling_Point:
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283.4±0.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 48 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 265 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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PSA:
|
20.23000
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MF:
|
C15H26O
|
|
More_Info:
|
['1 . Appearance Colourless 油状Liquid ', '2 . Density（g/mL,25℃）089 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）151~152 ', '5 . Boiling point（ºC,Atmospheric pressure）160(1333pa) ', '6 . Boiling point（ºC,213kPa）Unknow ', '7 . Refractive index（n20/D） 1490(lit) ', '8 . Flash point（ºC）100 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 ']
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|
Vapor_Pressure:
|
0.0±1.3 mmHg at 25°C
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|
Exact_Mass:
|
222.198364
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