|
MF:
|
C9H19NO
|
|
Bolling_Point:
|
194.9±0.0 °C at 760 mmHg
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|
Exact_Mass:
|
157.146667
|
|
More_Info:
|
['1 . Appearance Yellow Liquid ', '2 . Density（g/mL,20℃）086 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2Kpa）83-85 ', '7 . Refractive index(n20/D)1435（lit） ', '8 . Flash point（ºC）65 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,83-85ºC）20 ', '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 Unknow']
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|
PSA:
|
20.31000
|
|
Flash_Point:
|
65.6±0.0 °C
|
|
Computational_Chemistry:
|
['1. XlogP :1 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :3 ', '6. TPSA 203 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '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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|
Density:
|
0.9±0.1 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 4749 ', '2. Molar volume 1814 ', '3. Parachor （902K）4209 ', '4. Surface tension 289 ', '5. Dielectric constant N/A ', '6. Polarizability 1882 ', '7. Single isotope mass 157146664 Da ', '8. Nominal mass 157 Da ', '9. Average mass 1572533 Da']
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|
Vapor_Pressure:
|
0.4±0.3 mmHg at 25°C
|
|
FW:
|
157.253
|
|
LogP:
|
0.99
|
|
Refractive_Index:
|
1.437
|
