|
MF:
|
C7H13BrO2
|
|
Bolling_Point:
|
184.0±8.0 °C at 760 mmHg
|
|
Exact_Mass:
|
208.009888
|
|
More_Info:
|
['物性数据 1 . Appearance Colourless Liquid ', '2 . Density（g/mL ,25/4℃） 1279 ', '3 . Refractive index（nD20） 14485-14505 ', '4 . Flash point（℃）65 ', '5 . Boiling point（ºC）185-187 ', '6 . Boiling point（ºC,12 mmHg）77']
|
|
PSA:
|
26.30000
|
|
Flash_Point:
|
72.5±11.9 °C
|
|
Refractive_Index:
|
1.456
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4390 ', '2 . Molar volume （m3/mol）1614 ', '3 . Parachor （902K）3822 ', '4 . Surface tension 313 ', '5 . Polarizability （10 -24cm 3）1740']
|
|
Computational_Chemistry:
|
['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :112 ', '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:
|
209.081
|
|
LogP:
|
2.60
|
|
Vapor_Pressure:
|
0.8±0.4 mmHg at 25°C
|
