- InChI
- InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)
- InChI Key
- LGCODSNZJOVMHV-UHFFFAOYSA-N
- Formula
- C8H3F5O2
- SMILES
- O=C(O)Cc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 226.10
- CAS
- 653-21-4
- Other Names
-
- Pentafluorophenylacetic acid
- Benzeneacetic acid, 2,3,4,5,6-pentafluoro-
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7333 | Relay (1.0) Calculated Property | |
| ΔfG° | -1159.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1132.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 116.110 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Tboil | 494.52 | K | Relay (1.0) Calculated Property |
| Tc | 695.28 | K | Relay (1.0) Calculated Property |
| Tfus | 389.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.90; 307.61] | J/mol×K | [576.42; 746.06] | 
|
| Cp,gas | 272.90 | J/mol×K | 576.42 | Joback Calculated Property |
| Cp,gas | 279.38 | J/mol×K | 604.69 | Joback Calculated Property |
| Cp,gas | 285.58 | J/mol×K | 632.97 | Joback Calculated Property |
| Cp,gas | 291.51 | J/mol×K | 661.24 | Joback Calculated Property |
| Cp,gas | 297.15 | J/mol×K | 689.51 | Joback Calculated Property |
| Cp,gas | 302.52 | J/mol×K | 717.78 | Joback Calculated Property |
| Cp,gas | 307.61 | J/mol×K | 746.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4,5,6-Pentafluorophenylacetic acid.
Sources
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