- InChI
- InChI=1S/C8H13F3O2/c1-6(2)4-3-5-13-7(12)8(9,10)11/h6H,3-5H2,1-2H3
- InChI Key
- YVQDQJNIGSBFAW-UHFFFAOYSA-N
- Formula
- C8H13F3O2
- SMILES
- CC(C)CCCOC(=O)C(F)(F)F
- Molecular Weight1
- 198.18
- CAS
- 327-71-9
- Other Names
-
- Trifluoroacetic acid, isohexyl 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° | -801.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.528 | Crippen Calculated Property | |
| McVol | 136.330 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [835.00; 835.00] |
|
|
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| Tboil | 452.87 | K | Joback Calculated Property |
| Tc | 616.33 | K | Joback Calculated Property |
| Tfus | 241.27 | K | Joback Calculated Property |
| Vc | 0.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.19; 371.35] | J/mol×K | [452.87; 616.33] |
|
| Cp,gas | 307.19 | J/mol×K | 452.87 | Joback Calculated Property |
| Cp,gas | 319.14 | J/mol×K | 480.11 | Joback Calculated Property |
| Cp,gas | 330.57 | J/mol×K | 507.36 | Joback Calculated Property |
| Cp,gas | 341.49 | J/mol×K | 534.60 | Joback Calculated Property |
| Cp,gas | 351.92 | J/mol×K | 561.85 | Joback Calculated Property |
| Cp,gas | 361.87 | J/mol×K | 589.09 | Joback Calculated Property |
| Cp,gas | 371.35 | J/mol×K | 616.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trifluoroacetic acid, 4-methylpentyl ester.
Sources
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