Physical and Chemical Properties
Information relating to the physical properties of long-chain (C9-C20) PFCAs is limited. Table 2 shows the available physical and chemical data, where available, for C9-C15 long-chain PFCAs. It has been suggested that the carbon-carbon conformation changes as the chain length increases, with longer chains becoming helical (Wang and Ober 1999), resulting in smaller cross-sectional diameter molecules where the chain may fold back on itself or not be completely linear. If so, then this would cause a change in the physical and chemical properties of the longer chain acids relative to the linear PFCAs (i.e., < C8).
Table 2. Available Physical/chemical Properties of C9-C15 PFCAs
| Property | Value | Type | Reference |
|---|---|---|---|
| C9 PFCA | |||
| Molecular mass (g/mol) | 464.08 | – | - |
| Melting point (°C) | 77 | Experimental | Fontell and Lindman 1983 |
| 71 | Blancou et al. 1976 | ||
| 71-72 | Herbst et al. 1985 | ||
| 65 (CCl4) | Beneficemalouet et al. 1991 | ||
| 59.3-61.1 | Kunieda and Shinoda 1976 | ||
| 69-71 | Ishikawaet al. 1983 | ||
| Boiling point (°C) | 203.4 | Calculated | Kaiser et al. 2005 |
| Vapour pressure (Pa)at 25°C | 1.3 – 99.97 kPa (99.6 - 203°C) | Calculated | Kaiser et al. 2005 |
| 0.10 | Experimental | Arp et al. 2006 | |
| Water solubility | <0.2 percent weight at 60°C | Experimental | Fontell and Lindman 19831 |
| 1.3 g/L (critical micelle concentration) | Experimental | Kunieda and Shinoda 19761 | |
| pKa (dimensionless) | <0.8 | Calculated | Goss 2008 |
| log Koc (dimensionless) | 2.3 – 2.48 | Experimental | Higgins and Luthy 2006 |
| C10 PFCA | |||
| Molecular mass (g/mol) | 514.08 | – | - |
| Melting point (°C) | 87.4-88.2 (CCl4) | Experimental | Bernett and Zisman 1959 |
| 87.4-88.2 (toluene) | Experimental | Bernett and Zisman 1959 | |
| 83.5-85.5(CCl4, ethanol) | Mukerjee and Handa 1981 | ||
| 76.5(CCl4) | Ikawa et al. 1988 | ||
| 87.4-88.2 | Hare et al. 1954 | ||
| Boiling point (°C) | 218 | Kauck and Diesslin 1951 | |
| 219.4 | Calculated | Kaiser et al.2005 | |
| 203.4 | Calculated | Kaiser et al. 2005 | |
| 218 | Experimental | Sigma Aldrich 2004 | |
| Vapour pressure (Pa) at 25°C | 3.1 to 99.97 kPa (129.6 to 218.9°C) | Calculated | Kaiser et al.2005 |
| -0.64 | Experimental | Arp et al. 2006 | |
| 0.10 | Experimental | Arp et al. 2006 | |
| Water solubility (g/L) | 5.14 | Experimental | Kauck and Diesslin 1951 |
| 0.40 (critical micelle concentration) | Bernett and Zisman 19591 | ||
| 0.46 (critical micelle concentration at 30°C) | Klevens and Raison 19541 | ||
| pKa (dimensionless) | 2.57512 | Calculated | Moroi et al.2001 |
| log Koc (dimesionless) | 2.65 – 2.87 | Experimental | Higgins and Luthy 2006 |
| C11 PFCA | |||
| Molecular mass (g/mol) | 564.1 | – | - |
| Melting point (°C) | 112-114 | Experimental | Huang et al. 1987 |
| 97.9-100.3 | Kunieda and Shinoda 1976 | ||
| Boiling point (°C) | 238.4 at 101.325 kPa | Calculated | Kaiser et al. 2005 |
| Vapour pressure (Pa) at 25°C | 0.6 to 99.97 kPa (112 to 237.7°C) | Calculated | Kaiser et al. 2005 |
| -0.98 | Experimental | Arp et al. 2006 | |
| log Koc (dimesionless) | 3.19 – 3.41 | Experimental | Higgins and Luthy 2006 |
| C12 PFCA | |||
| Molecular mass (g/mol) | 614.1 | – | - |
| Melting point (°C) | 112.6 – 114.7 (CCl4 , toluene) | Experimental | Bernett and Zisman 1959 |
| 112.6-114.7 | Hare et al. 1954 | ||
| 112-114 | Huang et al. 1987 | ||
| Boiling point (°C) | Not available | ||
| Vapour pressure (Pa) at 25°C | 0.9 to 99.96 kPa (127.6 to 247.7°C) | Calculated | Kaiser et al. 2005 |
| C13 PFCA | |||
| Molecular mass (g/mol) | 664.0989 | – | - |
| Melting point (°C) | 117.5-122 | Experimental | Kunieda and Shinoda 1976 |
| C14 PFCA | |||
| Molecular mass (g/mol) | 714.12 | – | - |
| Melting point (°C) | 130.4 (hexane) | Experimental | Lehmler et al.2001 |
| 130 | Kunieda and Shinoda 1976 | ||
| C15 PFCA | |||
| Molecular mass (g/mol) | 764.1129 | - | |
1 It should be noted that these solubility values refer to an aqueous phase containing a mixture of protonated acid and perfluorocarboxylate anion, at an “autogenous” pH. If the pH is reduced by addition of, for example, a mineral acid, the proportion of protonated acid will increase and the overall solubility will decrease.
Abbreviations: Koc, sediment organic carbon coefficient; pKa, acid dissociation constant.
Abbreviations: Koc, sediment organic carbon coefficient; pKa, acid dissociation constant.
Page details
- Date modified: