|
FW:
|
186.291
|
|
MF:
|
C11H22O2
|
|
Refractive_Index:
|
1.427
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
220.0±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
186.161987
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :121 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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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|
Molecular_Structure:
|
['1 . Molar refractive index 5478 ', '2 . Molar volume 2135 ', '3 . Parachor (902K)4945 ', '4 . Surface tension 287 ', '5 . Polarizability 2171']
|
|
LogP:
|
4.43
|
|
Melting_Point:
|
-44°C
|
|
Flash_Point:
|
94.4±0.0 °C
|
|
Density:
|
0.9±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Colourless 透明Liquid ,具有强烈的葡萄香气,有玫瑰香气,还有果香and 酒香。 ', '2. Melting point(ºC)-367 ', '3. Boiling point(℃,101kpa)227, 119~220ºC(3066pa) ', '4相对. Density(d254) 0866 ', '5. Refractive index(n20D)1422 ', '6 . Solubility Insoluble in Water ,Soluble in Ethanol Ethyl ether 丙酮等有机溶剂。 ', '7相对. Density(20℃,4℃)08657 ', '8相对. Density(25℃,4℃)08616 ', '9 . Critical temperature(ºC)39085 ', '10 . Flash point(ºC)94']
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