- InChI
- InChI=1S/C7H11F3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
- InChI Key
- UOUKEYVAKRKVQA-UHFFFAOYSA-N
- Formula
- C7H11F3O2
- SMILES
- CC(C)CCOC(=O)C(F)(F)F
- Molecular Weight1
- 184.16
- CAS
- 327-69-5
- Other Names
-
- Trifluoroacetic acid, 3-methylbutyl ester
- 3-Methyl-1-butanol, trifluoroacetate
- Isopentyl 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -809.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1034.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.138 | Crippen Calculated Property | |
| McVol | 122.240 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | [724.90; 759.20] |
|
|
| Inp | 724.90 | NIST | |
| Inp | 752.10 | NIST | |
| Inp | 759.20 | NIST | |
| Tboil | 429.99 | K | Joback Calculated Property |
| Tc | 594.24 | K | Joback Calculated Property |
| Tfus | 230.00 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.92; 324.86] | J/mol×K | [429.99; 594.24] |
|
| Cp,gas | 265.92 | J/mol×K | 429.99 | Joback Calculated Property |
| Cp,gas | 276.90 | J/mol×K | 457.36 | Joback Calculated Property |
| Cp,gas | 287.40 | J/mol×K | 484.74 | Joback Calculated Property |
| Cp,gas | 297.44 | J/mol×K | 512.11 | Joback Calculated Property |
| Cp,gas | 307.02 | J/mol×K | 539.49 | Joback Calculated Property |
| Cp,gas | 316.16 | J/mol×K | 566.86 | Joback Calculated Property |
| Cp,gas | 324.86 | J/mol×K | 594.24 | Joback Calculated Property |
Similar Compounds
![Propan-1,3-dioic acid, di[3-methylbutyl] ester.](data:image/png;base64,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)
Find more compounds similar to Acetic acid, trifluoro-, 3-methylbutyl ester.
Sources
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