|
Refractive_Index:
|
1.581
|
|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
|
Flash_Point:
|
307.5±30.1 °C
|
|
LogP:
|
3.71
|
|
Bolling_Point:
|
584.9±50.0 °C at 760 mmHg
|
|
PSA:
|
48.00000
|
|
Molecular_Structure:
|
['1. Molar refractive index 10494 ', '2. Molar volume 315 ', '3. Parachor （902K）8185 ', '4. Surface tension 455 ', '5. Dielectric constant N/A ', '6. Polarizability 416 ', '7. Single isotope mass 387123736 Da ', '8. Nominal mass 387 Da ', '9. Average mass 3878567 Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 48 ', '7 . Heavy Atom Count 27 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 512 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
125-149ºC
|
|
MF:
|
C21H22ClNO4
|
|
Exact_Mass:
|
387.123749
|
|
FW:
|
387.857
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）125-129 ', '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）Unknow ', '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']
|
