|
Bolling_Point:
|
355.9±42.0 °C at 760 mmHg
|
|
LogP:
|
2.98
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）62-67°C(lit)5. Boiling point（ºC,Atmospheric pressure）125-128 °C (01 mmHg) ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow 8 . Flash point（ºC） 125-128°C/01mm 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 insoluble']
|
|
Computational_Chemistry:
|
['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 388 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :316 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
62-67 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
247.120850
|
|
MF:
|
C14H17NO3
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Refractive_Index:
|
1.565
|
|
Water_Solubility:
|
insoluble
|
|
PSA:
|
38.77000
|
|
Flash_Point:
|
169.0±27.9 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6911 ', '2 . Molar volume （m3/mol）2121 ', '3 . Parachor （902K）5506 ', '4 . Surface tension 453 ', '5 . Polarizability 2739']
|
|
FW:
|
247.290
|
