|
Refractive_Index:
|
1.543
|
|
Flash_Point:
|
181.6ºC
|
|
LogP:
|
1.79080
|
|
Bolling_Point:
|
376.7ºC at 760 mmHg
|
|
Water_Solubility:
|
Slightly soluble (7.6 g/L) (25 ºC)
|
|
PSA:
|
29.54000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5809 ', '2 . Molar volume （m3/mol）1842 ', '3 . Parachor （902K）4645 ', '4 . Surface tension 403 ', '5 . Polarizability （10 -24cm 3）2302']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 295 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :216 ', '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:
|
99-100 ºC (ethyl ether hexane )
|
|
MF:
|
C12H15NO2
|
|
Exact_Mass:
|
205.11000
|
|
FW:
|
205.25300
|
|
Density:
|
1.113g/cm3
|
|
More_Info:
|
['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）96-98 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
|
