- InChI
- InChI=1S/C8H13F3O2/c1-4-5(2)6(3)13-7(12)8(9,10)11/h5-6H,4H2,1-3H3
- InChI Key
- SSJZIAKRAUGSQG-UHFFFAOYSA-N
- Formula
- C8H13F3O2
- SMILES
- CCC(C)C(C)OC(=O)C(F)(F)F
- Molecular Weight1
- 198.18
- CAS
- 74454-47-0
- 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).
- 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° | -803.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.526 | Crippen Calculated Property | |
| McVol | 136.330 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Tboil | 452.43 | K | Joback Calculated Property |
| Tc | 619.30 | K | Joback Calculated Property |
| Tfus | 226.27 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.29; 372.99] | J/mol×K | [452.43; 619.30] | 
|
| Cp,gas | 307.29 | J/mol×K | 452.43 | Joback Calculated Property |
| Cp,gas | 319.56 | J/mol×K | 480.24 | Joback Calculated Property |
| Cp,gas | 331.29 | J/mol×K | 508.05 | Joback Calculated Property |
| Cp,gas | 342.48 | J/mol×K | 535.87 | Joback Calculated Property |
| Cp,gas | 353.15 | J/mol×K | 563.68 | Joback Calculated Property |
| Cp,gas | 363.32 | J/mol×K | 591.49 | Joback Calculated Property |
| Cp,gas | 372.99 | J/mol×K | 619.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, (R*,S*)-(+/-)-.
Sources
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