|
Refractive_Index:
|
1.412
|
|
Vapor_Pressure:
|
2.1±0.3 mmHg at 25°C
|
|
Flash_Point:
|
51.7±0.0 °C
|
|
LogP:
|
3.03
|
|
Bolling_Point:
|
163.4±0.0 °C at 760 mmHg
|
|
Water_Solubility:
|
slightly soluble
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['1. Molar refractive index 3929 ', '2. Molar volume 1579 ', '3. Parachor （902K）3593 ', '4. Surface tension 268 ', '5. Polarizability 1557']
|
|
Computational_Chemistry:
|
['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :596 ', '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']
|
|
Melting_Point:
|
12-15 °C(lit.)
|
|
MF:
|
C8H16O
|
|
Exact_Mass:
|
128.120117
|
|
FW:
|
128.212
|
|
Density:
|
0.8±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Colourless Liquid ，有强烈的Water 果香味。 ', '2. Melting point（℃）-23 ', '3. Boiling point（℃）1634 ', '4相对. Density（Water =1）082 ', '5相对蒸气. Density（Atmosphere =1）441 ', '6. Saturated vapor pressure（kPa）0266（20℃） ', '7. Critical pressure（MPa）296 ', '8Octanol /Water 分配系数265 ', '9. Flash point（℃）51（CC） ', '10引燃温度（℃）196 ', '11. Solubility Insoluble in 甘油，Soluble in Ethanol Ethyl ether 固定油丙二醇。']
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