- InChI
- InChI=1S/C6H9F3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
- InChI Key
- UQJLSMYQBOJUGG-UHFFFAOYSA-N
- Formula
- C6H9F3O2
- SMILES
- CC(C)(C)OC(=O)C(F)(F)F
- Molecular Weight1
- 170.13
- CAS
- 400-52-2
- Other Names
-
- Acetic acid, trifluoro-, tert-butyl ester
- tert-Butyl trifluoroacetate
- 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).
- 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).
- 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° | -813.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1098.30 ± 6.30 | kJ/mol | NIST |
| ΔfH°liquid | -1135.00 ± 4.80 | kJ/mol | NIST |
| ΔfusH° | 8.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.70 ± 4.20 | kJ/mol | NIST |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 1.890 | Crippen Calculated Property | |
| McVol | 108.150 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Tboil | 356.20 | K | NIST |
| Tc | 575.88 | K | Joback Calculated Property |
| Tfus | 236.15 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.71; 285.22] | J/mol×K | [404.32; 575.88] | 
|
| Cp,gas | 228.71 | J/mol×K | 404.32 | Joback Calculated Property |
| Cp,gas | 239.53 | J/mol×K | 432.91 | Joback Calculated Property |
| Cp,gas | 249.76 | J/mol×K | 461.51 | Joback Calculated Property |
| Cp,gas | 259.43 | J/mol×K | 490.10 | Joback Calculated Property |
| Cp,gas | 268.54 | J/mol×K | 518.69 | Joback Calculated Property |
| Cp,gas | 277.13 | J/mol×K | 547.29 | Joback Calculated Property |
| Cp,gas | 285.22 | J/mol×K | 575.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, 1,1-dimethylethyl ester.
Sources
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