- InChI
- InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
- InChI Key
- SNGREZUHAYWORS-UHFFFAOYSA-N
- Formula
- C8HF15O2
- SMILES
-
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F
)(F)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 414.07
- CAS
- 335-67-1
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid
- 65618-66-8
- 71244-15-0
- Fluorad FC-26
- Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-
- NSC 95114
- Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
- Octanoic acid, pentadecafluoro-
- PFOA
- Pentadecafluoro-1-octanoic acid
- Pentadecafluoro-n-octanoic acid
- Perfluoro-n-octanoic acid
- Perfluorocaprylic acid
- Perfluoroctanoic acid
- Perfluoroheptanecarboxylic acid
- Perfluorooctanoic acid
- n-Perfluorooctanoic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7001 | Relay (1.0) Calculated Property | |
| ΔfG° | -3229.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3537.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.59 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.445 | Crippen Calculated Property | |
| McVol | 157.570 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | [1045.00; 1045.00] |
|
|
| Inp | 1045.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Tboil | 451.44 | K | Relay (1.0) Calculated Property |
| Tc | 595.33 | K | Relay (1.0) Calculated Property |
| Tfus | 347.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [462.00; 462.20] | K | [98.10; 98.10] |
|
| Tboilr | 462.20 | K | 98.10 | NIST |
| Tboilr | 462.00 | K | 98.10 | NIST |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
- Solid Vapor Pressure and Enthalpy of Sublimation for Perfluorooctanoic Acid
- Joback Method
- McGowan Method
- NIST Webbook
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