|
Refractive_Index:
|
1.575
|
|
Vapor_Pressure:
|
0.0±1.5 mmHg at 25°C
|
|
Flash_Point:
|
283.4±32.9 °C
|
|
LogP:
|
10.60
|
|
Bolling_Point:
|
545.1±60.0 °C at 760 mmHg
|
|
PSA:
|
50.94000
|
|
Molecular_Structure:
|
['1. Molar refractive index 12066 ', '2. Molar volume 365 ', '3. Parachor （902K）9194 ', '4. Surface tension 402 ', '5. Dielectric constant N/A ', '6. Polarizability 4783 ', '7. Single isotope mass 393278013 Da ', '8. Nominal mass 393 Da ', '9. Average mass 3935649 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :96 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :3 ', '6. TPSA 509 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :432 ', '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']
|
|
Melting_Point:
|
>350 °C(lit.)
|
|
MF:
|
C25H35N3O
|
|
Exact_Mass:
|
393.278015
|
|
FW:
|
393.565
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）0911 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>350 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，17mmHg）Unknow ', '7 . Refractive indexn 20/D 1574(lit) ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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 Slightly soluble in Water 的']
|
