|
Refractive_Index:
|
n20/D 1.426(lit.)
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|
Vapor_Pressure:
|
1.52mmHg at 25°C
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|
Flash_Point:
|
146 °F
|
|
LogP:
|
1.85220
|
|
Bolling_Point:
|
169-170 °C756 mm Hg(lit.)
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|
Water_Solubility:
|
miscible
|
|
FW:
|
131.21600
|
|
PSA:
|
35.25000
|
|
Computational_Chemistry:
|
['1. XlogP :07 ', '2. Hydrogen Bond Donor Count 1 ', '3. Hydrogen Bond Acceptor Count 2 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count ', '6. TPSA :353 ', '7. Heavy Atom Count 9 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 482 ', '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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|
Melting_Point:
|
-65 °C
|
|
MF:
|
C7H17NO
|
|
Exact_Mass:
|
131.13100
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3975 ', '2 . Molar volume （m3/mol）1541 ', '3 . Parachor （902K）3593 ', '4 . Surface tension 295 ', '5 . Polarizability 1576']
|
|
Density:
|
0.853 g/mL at 25 °C(lit.)
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）0853g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）-65 °C ', '5. Boiling point（ºC,Atmospheric pressure）169-170°C756mm Hg(lit) ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexn 20/D 1426(lit)8. Flash point（ºC）146°F ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,25ºC）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 miscible']
|
