Molecular_Structure:
|
['1. Molar refractive index 18359 ', '2. Molar volume 4994 ', '3. Parachor (902K)13398 ', '4. Surface tension 518 ', '5. Dielectric constant N/A ', '6. Polarizability 7278 ', '7. Single isotope mass 619247107 Da ', '8. Nominal mass 619 Da ', '9. Average mass 6197077 Da']
|
Flash_Point:
|
444.7±34.3 °C
|
Refractive_Index:
|
1.657
|
FW:
|
619.708
|
Density:
|
1.2±0.1 g/cm3
|
Bolling_Point:
|
811.7±65.0 °C at 760 mmHg
|
Computational_Chemistry:
|
['1. XlogP :75 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :2 ', '6. TPSA 934 ', '7. Heavy Atom Count :47 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :967 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
LogP:
|
8.03
|
Melting_Point:
|
150-155 °C(lit.)
|
PSA:
|
93.45000
|
MF:
|
C40H33N3O4
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)150-155 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,15mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)97 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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 Unknow']
|
Vapor_Pressure:
|
0.0±3.1 mmHg at 25°C
|
Exact_Mass:
|
619.247131
|