Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor (902K)N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 622255813 Da ', '8. Nominal mass 622 Da ', '9. Average mass 623139 Da']
|
Flash_Point:
|
482ºC
|
Refractive_Index:
|
67.7 ° (C=1, H2O)
|
FW:
|
623.139
|
Bolling_Point:
|
257 °C
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 113 ', '7. Heavy Atom Count :44 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1200 ', '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 :2']
|
LogP:
|
4.76890
|
Melting_Point:
|
250-256°C (dec.)
|
PSA:
|
114.20000
|
MF:
|
C33H39ClN4O6
|
More_Info:
|
['1 . Appearance 淡Yellow 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)250-256 ', '5 . Boiling point(ºC,Atmospheric pressure)257 ', '6 . Boiling point(ºC,8mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)677 ', '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:
|
1.31E-32mmHg at 25°C
|
Exact_Mass:
|
622.255798
|