Perfluorooctane
Structural formula
| Business number | 04S8 |
|---|---|
| Molecular formula | C8BrF17 |
| Molecular weight | 498.96 |
| label |
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane, Perfluorooctane, perfluorobromane, perfluorooctyl bromide, Perfluorooctyl bromide, 1-Bromoperfluorooctane, 98+%, 1-bromoperfluorooctane, PERFLUORO-N-OCTYL BROMIDE, PERFLUOROOOCTYL BROMIDE, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-octan, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-Octane, 1-bromoheptadecafluoro-octan, long’s compound, perflubron, perfluoroctylbromide |
Numbering system
CAS number:423-55-2
MDL number:MFCD00042082
EINECS number:207-028-4
RTECS number:RG8700000
BRN number:2016022
PubChem number:24861212
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.93
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 6
Boiling point (ºC, normal pressure): 142
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.305
Flash Point (ºC): 141-143
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Solubility: Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:49.35
2、 Molar volume（m3/mol)：266.7
3、 Isotonic specific volume (90.2K):524.9
4、 Surface tension（dyne/cm)：14.9
5、 Polarizability(10-24cm3）：19.56
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 6.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 17
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 26
8. Surface charge: 0
9. Complexity: 527
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
