- InChI
- InChI=1S/C6H3F9O2/c1-3(5(10,11)12,6(13,14)15)17-2(16)4(7,8)9/h1H3
- InChI Key
- QKFTWDCMJRDXJG-UHFFFAOYSA-N
- Formula
- C6H3F9O2
- SMILES
-
CC(OC(=O)C(F)(F)F)(C(F)(F)F)C(
F)(F)F - Molecular Weight1
- 278.07
- CAS
- 42031-16-3
- Other Names
-
- Trifluoroacetic acid, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -1976.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2211.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.975 | Crippen Calculated Property | |
| McVol | 118.770 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Tboil | 393.48 | K | Joback Calculated Property |
| Tc | 535.72 | K | Joback Calculated Property |
| Tfus | 244.53 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.26; 334.44] | J/mol×K | [393.48; 535.72] | 
|
| Cp,gas | 281.26 | J/mol×K | 393.48 | Joback Calculated Property |
| Cp,gas | 291.69 | J/mol×K | 417.19 | Joback Calculated Property |
| Cp,gas | 301.46 | J/mol×K | 440.89 | Joback Calculated Property |
| Cp,gas | 310.59 | J/mol×K | 464.60 | Joback Calculated Property |
| Cp,gas | 319.11 | J/mol×K | 488.30 | Joback Calculated Property |
| Cp,gas | 327.05 | J/mol×K | 512.01 | Joback Calculated Property |
| Cp,gas | 334.44 | J/mol×K | 535.72 | Joback Calculated Property |
| ΔvapH | 33.50 | kJ/mol | 338.00 | NIST |
Similar Compounds
Sources
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