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
