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Refractive_Index:
|
1.495
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|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
108.3±0.0 °C
|
|
LogP:
|
3.18
|
|
Bolling_Point:
|
264.0±9.0 °C at 760 mmHg
|
|
FW:
|
192.254
|
|
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 :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :169 ', '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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|
MF:
|
C12H16O2
|
|
Exact_Mass:
|
192.115036
|
|
Molecular_Structure:
|
['1. Molar refractive index 5606 ', '2. Molar volume 1921 ', '3. Parachor （902K）4651 ', '4. Surface tension 343 ', '5. Dielectric constant N/A ', '6. Polarizability 2222 ', '7. Single isotope mass 19211503 Da ', '8. Nominal mass 192 Da ', '9. Average mass 1922542 Da']
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|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
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['1 . Appearance Colourless to 淡Yellow Liquid 。呈青香Water 果及玫瑰似香气 ', '2 . Density（g/mL,25℃）0988 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）250 ', '6 . Boiling point（ºC,266kPa）Unknow ', '7 . Refractive indexn 20/D 14873 ', '8 . Flash point（ºC）108 ', '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 Ethyl ether and 大多数非挥发性油，几Insoluble in Water ']
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