Structural formula
| Business number | 04KM |
|---|---|
| Molecular formula | C9H3F15O2 |
| Molecular weight | 428.09 |
| label |
Pentafluorooctanoic acid methyl ester, Methyl perfluorooctanoate, Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate, Methyl pentadecafluorooctanoate, CF3(CF2)6CO2CH3, aliphatic compounds |
Numbering system
CAS number:376-27-2
MDL number:C9H3F15O2
EINECS number:C9H3F15O2
RTECS number:None
BRN number:C9H3F15O2
PubChem number:24865377
Physical property data
1. Physical property data
Properties: Not available
Density (g/mL, 25/4℃ ): 1.786
Relative vapor density (g/mL, air=1): Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure): 159-160
Boiling point (ºC, 5.2kPa): Not available
Refractive index: 1.305
Flash point (ºC): Not available
Specific rotation (º): Not available Use
Autoignition point or ignition temperature (ºC): Not available
Vapor pressure (kPa, 25ºC): Not available
Saturated vapor pressure (kPa, 60ºC): Not available
Heat of combustion (KJ/mol): Not available
Critical temperature (ºC): Not available
Critical pressure (KPa): Not available
Oil and water (octanol/water ) Logarithmic value of distribution coefficient: Not available
Explosion upper limit (%, V/V): Not available
Explosion lower limit (%, V/V): Not available
Solubility: Not available
Toxicological data
2. Toxicological data:
Acute toxicity: Not available.
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 47.73
2. Molar volume (cm3/mol): 262.6
3. Isotonic specific volume (90.2K ): 523.2
4. Surface tension (dyne/cm): 15.7
5. Polarizability (10-24cm3): 18.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 17
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 26
8. Surface charge: 0
9. Complexity: 546
10. Isotopic atomsQuantity: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine chemical bonds Number of stereocenters: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
