|
MF:
|
C12H24O
|
|
Bolling_Point:
|
171.0±0.0 °C at 760 mmHg
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|
Exact_Mass:
|
184.182709
|
|
More_Info:
|
['1 . Appearance Colourless to 微Yellow Liquid ，有Water 果香味 ', '2 . Density（g/mL,25℃）083 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）171 ', '6 . Boiling point（ºC,760mmHgUnknow ', '7 . Refractive indexn 20/D 1432(lit) ', '8 . Flash point（ºF）200 ', '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,26 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 Ethyl ether ，微Soluble in Water ']
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|
PSA:
|
17.07000
|
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Flash_Point:
|
93.3±0.0 °C
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|
Refractive_Index:
|
1.429
|
|
Density:
|
0.8±0.1 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 5778 ', '2. Molar volume 2243 ', '3. Parachor （902K）5158 ', '4. Surface tension 279 ', '5. Dielectric constant N/A ', '6. Polarizability 229 ', '7. Single isotope mass 184182715 Da ', '8. Nominal mass 184 Da ', '9. Average mass 1843184 Da']
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|
Computational_Chemistry:
|
['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :110 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
FW:
|
184.318
|
|
LogP:
|
4.97
|
|
Vapor_Pressure:
|
1.4±0.3 mmHg at 25°C
|
