|
Molecular_Structure:
|
['1. Molar refractive index 11763 ', '2. Molar volume 3042 ', '3. Parachor （902K）8362 ', '4. Surface tension 571 ', '5. Dielectric constant N/A ', '6. Polarizability 4663 ', '7. Single isotope mass 415189592 Da ', '8. Nominal mass 415 Da ', '9. Average mass 4154843 Da']
|
|
LogP:
|
4.42430
|
|
Flash_Point:
|
325.8ºC
|
|
Refractive_Index:
|
1.7
|
|
FW:
|
415.48400
|
|
Density:
|
1.36g/cm3
|
|
Bolling_Point:
|
615.1ºC at 760mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :20 ', '6. TPSA 852 ', '7. Heavy Atom Count :31 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :780 ', '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']
|
|
PSA:
|
90.62000
|
|
MF:
|
C25H25N3O3
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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:
|
1E-15mmHg at 25°C
|
|
Exact_Mass:
|
415.19000
|
