|
MF:
|
C12H23BrO2
|
|
Bolling_Point:
|
157-159ºC (2 mmHg)
|
|
Exact_Mass:
|
278.08800
|
|
More_Info:
|
['1 . Appearance 灰White or 褐色Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）30-32 ', '5 . Boiling point（ºC,Atmospheric pressure）157-159 ', '6 . Boiling point（ºC,12mmHg）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（hPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,83-85ºC）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']
|
|
Melting_Point:
|
30-32ºC
|
|
PSA:
|
37.30000
|
|
Flash_Point:
|
162.3ºC
|
|
Refractive_Index:
|
1.481
|
|
Density:
|
1.189g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 6689 ', '2. Molar volume 2348 ', '3. Parachor （902K）5808 ', '4. Surface tension 374 ', '5. Dielectric constant N/A ', '6. Polarizability 2652 ', '7. Single isotope mass 278088135 Da ', '8. Nominal mass 278 Da ', '9. Average mass 2792138 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :57 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :160 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
FW:
|
279.21400
|
|
LogP:
|
4.36530
|
|
Vapor_Pressure:
|
1.15E-05mmHg at 25°C
|
