- InChI
- InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
- InChI Key
- DTQVDTLACAAQTR-UHFFFAOYSA-N
- Formula
- C2HF3O2
- SMILES
- O=C(O)C(F)(F)F
- Molecular Weight1
- 114.02
- CAS
- 76-05-1
- Other Names
-
- Acetic acid, 2,2,2-trifluoro-
- CF3COOH
- Kyselina trifluoroctova
- NSC 77366
- Perfluoroacetic acid
- Trifluoracetic acid
- UN 2699
- acetic acid, trifluoro-
- trifluoroethanoic acid
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.4975 | Relay (1.0) Calculated Property | |
| PAff | 711.70 | kJ/mol | NIST |
| BasG | 680.70 | kJ/mol | NIST |
| ΔcH°liquid | -397.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°gas | [-1031.40; -1018.00] | kJ/mol |
|
| ΔfH°gas | -1018.00 ± 4.60 | kJ/mol | NIST |
| ΔfH°gas | -1031.40 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | -1069.90 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 12.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.00 ± 3.00 | kJ/mol | NIST |
| IE | [11.46; 12.08] | eV |
|
| IE | 11.50 | eV | NIST |
| IE | 11.60 | eV | NIST |
| IE | 11.46 | eV | NIST |
| IE | 12.00 | eV | NIST |
| IE | 12.06 | eV | NIST |
| IE | 12.08 ± 0.05 | eV | NIST |
| IE | 12.00 | eV | NIST |
| IE | 12.00 ± 0.03 | eV | NIST |
| logPoct/wat | 0.633 | Crippen Calculated Property | |
| McVol | 51.790 | ml/mol | McGowan Calculated Property |
| Pc | 4842.69 | kPa | Joback Calculated Property |
| Inp | [730.00; 744.00] |
|
|
| Inp | 744.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 744.00 | NIST | |
| Tboil | [344.91; 347.00] | K |
|
| Tboil | 344.91 | K | Isobaric vapor-liquid equilibrium of trifluoroacetic acid + water, trifluoroacetic acid + ethyl trifluoroacetate and ethyl trifluoroacetate + ethanol binary mixtures |
| Tboil | 347.00 | K | NIST |
| Tboil | 347.00 | K | NIST |
| Tboil | 345.60 | K | NIST |
| Tboil | 345.10 ± 0.20 | K | NIST |
| Tboil | 345.70 ± 1.00 | K | NIST |
| Tc | 469.86 | K | Relay (1.0) Calculated Property |
| Tfus | [288.43; 531.17] | K |
|
| Tfus | 531.17 ± 0.20 | K | NIST |
| Tfus | 288.43 ± 0.20 | K | NIST |
| Vc | 0.200 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.04; 131.00] | J/mol×K | [385.45; 562.91] |
|
| Cp,gas | 107.04 | J/mol×K | 385.45 | Joback Calculated Property |
| Cp,gas | 111.92 | J/mol×K | 415.03 | Joback Calculated Property |
| Cp,gas | 116.41 | J/mol×K | 444.60 | Joback Calculated Property |
| Cp,gas | 120.55 | J/mol×K | 474.18 | Joback Calculated Property |
| Cp,gas | 124.35 | J/mol×K | 503.76 | Joback Calculated Property |
| Cp,gas | 127.82 | J/mol×K | 533.33 | Joback Calculated Property |
| Cp,gas | 131.00 | J/mol×K | 562.91 | Joback Calculated Property |
| ΔvapH | 35.90 | kJ/mol | 315.00 | NIST |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isobaric vapor-liquid equilibrium of trifluoroacetic acid + water, trifluoroacetic acid + ethyl trifluoroacetate and ethyl trifluoroacetate + ethanol binary mixtures
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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