Methyl perfluorooctanoate

Perfluorooctanoic acid methyl ester structural formula

Perfluorooctanoic acid methyl ester structural formula

Structural formula

Business number 04KM
Molecular formula C9H3F15O2
Molecular weight 428.09

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,


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


None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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