- InChI
- InChI=1S/C14H17F3O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)19-13(18)14(15,16)17/h7-10H,2-6H2,1H3
- InChI Key
- YQQNYIXNCOSQFQ-UHFFFAOYSA-N
- Formula
- C14H17F3O2
- SMILES
- CCCCCCc1ccc(OC(=O)C(F)(F)F)cc1
- Molecular Weight1
- 274.28
- 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° | -645.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.277 | Crippen Calculated Property | |
| McVol | 197.110 | ml/mol | McGowan Calculated Property |
| Pc | 1864.33 | kPa | Joback Calculated Property |
| Inp | [1435.00; 1435.00] |
|
|
| Inp | 1435.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Tboil | 622.25 | K | Joback Calculated Property |
| Tc | 808.73 | K | Joback Calculated Property |
| Tfus | 362.83 | K | Joback Calculated Property |
| Vc | 0.778 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.05; 597.44] | J/mol×K | [622.25; 808.73] |
|
| Cp,gas | 521.05 | J/mol×K | 622.25 | Joback Calculated Property |
| Cp,gas | 535.79 | J/mol×K | 653.33 | Joback Calculated Property |
| Cp,gas | 549.69 | J/mol×K | 684.41 | Joback Calculated Property |
| Cp,gas | 562.77 | J/mol×K | 715.49 | Joback Calculated Property |
| Cp,gas | 575.06 | J/mol×K | 746.57 | Joback Calculated Property |
| Cp,gas | 586.61 | J/mol×K | 777.65 | Joback Calculated Property |
| Cp,gas | 597.44 | J/mol×K | 808.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexylphenyl trifluoroacetate.
Sources
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