- InChI
- InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1
- InChI Key
- DTQVDTLACAAQTR-UHFFFAOYSA-M
- Formula
- C2F3O2-
- SMILES
- O=C([O-])C(F)(F)F
- Molecular Weight1
- 113.02
- CAS
- 14477-72-6
- ω : Acentric Factor.
- EAneutral : Electron affinity of neutral species (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.2765 | Relay (1.0) Calculated Property | |
| EAneutral | 4.46 ± 0.18 | eV | NIST |
| ΔfG° | -793.86 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -959.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 27.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.89 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.701 | Crippen Calculated Property | |
| McVol | 49.640 | ml/mol | McGowan Calculated Property |
| Pc | 3846.81 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 267.52 | K | Relay (1.0) Calculated Property |
| Tc | 400.01 | K | Relay (1.0) Calculated Property |
| Tfus | 227.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.193 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to CF3CO2 anion.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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