|
Refractive_Index:
|
n20/D 1.419
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|
Vapor_Pressure:
|
0.158mmHg at 25°C
|
|
Flash_Point:
|
82.9ºC
|
|
LogP:
|
3.15600
|
|
Bolling_Point:
|
214.2ºC at 760mmHg
|
|
FW:
|
186.29100
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :130 ', '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']
|
|
MF:
|
C11H22O2
|
|
Exact_Mass:
|
186.16200
|
|
Molecular_Structure:
|
['1. Molar refractive index 5474 ', '2. Molar volume 2139 ', '3. Parachor （902K）4919 ', '4. Surface tension 279 ', '5. Dielectric constant N/A ', '6. Polarizability 217 ', '7. Single isotope mass 18616198 Da ', '8. Nominal mass 186 Da ', '9. Average mass 1862912 Da']
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|
Density:
|
0.87g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 具有持久的黑胡椒似香味and 强烈的新鲜生Water 果香气。 ', '2 . Density（g/mL,25℃）0857 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）215 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1419 ', '8 . Flash point（ºC）50 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '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）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water 。']
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