|
Molecular_Structure:
|
['1 . Molar refractive index 8770 ', '2 . Molar volume 2671 ', '3 . Parachor （902K）7148 ', '4 . Surface tension 512 ', '5 . Polarizability 3476']
|
|
LogP:
|
0.88
|
|
Flash_Point:
|
294.7±30.1 °C
|
|
Refractive_Index:
|
1.570
|
|
FW:
|
335.395
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Bolling_Point:
|
563.7±50.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 761 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :611 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :4 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
236ºC(lit.)
|
|
PSA:
|
76.07000
|
|
MF:
|
C18H25NO5
|
|
More_Info:
|
['1. Appearance Colourless 棱柱结晶(丙酮),针状结晶( Ethanol )。 ', '2. Melting point（℃）1725(168～169)。 ', '3. Refractive index[α]28/D+43°(C=08,甲醇), [α]28/D-221°(C=512,氯仿)。']
|
|
Vapor_Pressure:
|
0.0±3.5 mmHg at 25°C
|
|
Exact_Mass:
|
335.173279
|
