- InChI
- InChI=1S/C9H15F3O2/c1-5(2)7(6(3)4)14-8(13)9(10,11)12/h5-7H,1-4H3
- InChI Key
- WOVKJHJBPIFBJG-UHFFFAOYSA-N
- Formula
- C9H15F3O2
- SMILES
- CC(C)C(OC(=O)C(F)(F)F)C(C)C
- Molecular Weight1
- 212.21
- 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° | -797.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1086.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.772 | Crippen Calculated Property | |
| McVol | 150.420 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | 835.00 | NIST | |
| Tboil | 474.87 | K | Joback Calculated Property |
| Tc | 644.13 | K | Joback Calculated Property |
| Tfus | 222.54 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.80; 422.79] | J/mol×K | [474.87; 644.13] | 
|
| Cp,gas | 350.80 | J/mol×K | 474.87 | Joback Calculated Property |
| Cp,gas | 364.28 | J/mol×K | 503.08 | Joback Calculated Property |
| Cp,gas | 377.15 | J/mol×K | 531.29 | Joback Calculated Property |
| Cp,gas | 389.42 | J/mol×K | 559.50 | Joback Calculated Property |
| Cp,gas | 401.10 | J/mol×K | 587.71 | Joback Calculated Property |
| Cp,gas | 412.22 | J/mol×K | 615.92 | Joback Calculated Property |
| Cp,gas | 422.79 | J/mol×K | 644.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-3-pentanol, trifluoroacetate.
Sources
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