- InChI
- InChI=1S/C12H15F3O/c1-2-3-4-7-16-8-9-10(13)5-6-11(14)12(9)15/h5-6H,2-4,7-8H2,1H3
- InChI Key
- TZQJFODKZIXECY-UHFFFAOYSA-N
- Formula
- C12H15F3O
- SMILES
- CCCCCOCc1c(F)ccc(F)c1F
- Molecular Weight1
- 232.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5929 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -691.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.811 | Crippen Calculated Property | |
| McVol | 167.360 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | 1344.00 | NIST | |
| Tboil | 499.11 | K | Relay (1.0) Calculated Property |
| Tc | 694.31 | K | Relay (1.0) Calculated Property |
| Tfus | 246.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.58; 470.14] | J/mol×K | [535.81; 710.43] | 
|
| Cp,gas | 397.58 | J/mol×K | 535.81 | Joback Calculated Property |
| Cp,gas | 411.01 | J/mol×K | 564.91 | Joback Calculated Property |
| Cp,gas | 423.90 | J/mol×K | 594.02 | Joback Calculated Property |
| Cp,gas | 436.26 | J/mol×K | 623.12 | Joback Calculated Property |
| Cp,gas | 448.07 | J/mol×K | 652.22 | Joback Calculated Property |
| Cp,gas | 459.37 | J/mol×K | 681.33 | Joback Calculated Property |
| Cp,gas | 470.14 | J/mol×K | 710.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluorobenzyl alcohol, n-pentyl ether.
Sources
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