Refractive_Index:
|
1.671
|
Vapor_Pressure:
|
0.0±2.3 mmHg at 25°C
|
Flash_Point:
|
371.6±30.1 °C
|
LogP:
|
6.64
|
Bolling_Point:
|
690.7±50.0 °C at 760 mmHg
|
PSA:
|
75.63000
|
Molecular_Structure:
|
['1. Molar refractive index 12585 ', '2. Molar volume 338 ', '3. Parachor (902K)9325 ', '4. Surface tension 579 ', '5. Dielectric constant N/A ', '6. Polarizability 4989 ', '7. Single isotope mass 437162708 Da ', '8. Nominal mass 437 Da ', '9. Average mass 4374865 Da']
|
Computational_Chemistry:
|
['1 . XlogP 65 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 785 ', '7 . Heavy Atom Count 33 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 668 ', '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']
|
Melting_Point:
|
191 °C
|
MF:
|
C28H23NO4
|
Exact_Mass:
|
437.162720
|
FW:
|
437.487
|
Density:
|
1.3±0.1 g/cm3
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)191 ', '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']
|