- InChI
- InChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)
- InChI Key
- SMXPFEBIAASLOR-UHFFFAOYSA-N
- Formula
- C8H3F5O3
- SMILES
- O=C(O)COc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 242.10
- CAS
- 14892-14-9
- Other Names
-
- Pentafluorophenoxyacetic acid
- Acetic acid, (pentafluorophenoxy)-
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔfG° | -1264.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1406.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 1.845 | Crippen Calculated Property | |
| McVol | 121.980 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 598.84 | K | Joback Calculated Property |
| Tc | 768.33 | K | Joback Calculated Property |
| Tfus | 404.87 | K | Joback Calculated Property |
| Vc | 0.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.76; 329.04] | J/mol×K | [598.84; 768.33] | 
|
| Cp,gas | 293.76 | J/mol×K | 598.84 | Joback Calculated Property |
| Cp,gas | 300.32 | J/mol×K | 627.09 | Joback Calculated Property |
| Cp,gas | 306.62 | J/mol×K | 655.34 | Joback Calculated Property |
| Cp,gas | 312.65 | J/mol×K | 683.59 | Joback Calculated Property |
| Cp,gas | 318.40 | J/mol×K | 711.83 | Joback Calculated Property |
| Cp,gas | 323.87 | J/mol×K | 740.08 | Joback Calculated Property |
| Cp,gas | 329.04 | J/mol×K | 768.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentafluorophenoxy acetic acid.
Sources
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