- InChI
- InChI=1S/C6H9F3O2/c1-4(2)3-11-5(10)6(7,8)9/h4H,3H2,1-2H3
- InChI Key
- JNDIDDMPBOLGER-UHFFFAOYSA-N
- Formula
- C6H9F3O2
- SMILES
- CC(C)COC(=O)C(F)(F)F
- Molecular Weight1
- 170.13
- CAS
- 17355-83-8
- Other Names
-
- Isobutyl trifluoroacetate
- Isobutyl trifluroacetate
- Acetic acid, trifluoro-, 2-methylpropyl ester
- Trifluoroacetic acid, isobutyl 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).
- 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° | -818.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1014.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.748 | Crippen Calculated Property | |
| McVol | 108.150 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [625.40; 656.40] |
|
|
| Inp | 625.40 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 656.40 | NIST | |
| Inp | 625.40 | NIST | |
| Inp | 653.00 | NIST | |
| Tboil | 407.11 | K | Joback Calculated Property |
| Tc | 572.02 | K | Joback Calculated Property |
| Tfus | 218.73 | K | Joback Calculated Property |
| Vc | 0.432 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.82; 279.97] | J/mol×K | [407.11; 572.02] |
|
| Cp,gas | 226.82 | J/mol×K | 407.11 | Joback Calculated Property |
| Cp,gas | 236.72 | J/mol×K | 434.60 | Joback Calculated Property |
| Cp,gas | 246.20 | J/mol×K | 462.08 | Joback Calculated Property |
| Cp,gas | 255.25 | J/mol×K | 489.57 | Joback Calculated Property |
| Cp,gas | 263.89 | J/mol×K | 517.05 | Joback Calculated Property |
| Cp,gas | 272.12 | J/mol×K | 544.54 | Joback Calculated Property |
| Cp,gas | 279.97 | J/mol×K | 572.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid, 2-methylpropyl ester.
Sources
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