- InChI
- InChI=1S/C10H9F3O2/c1-2-7-4-3-5-8(6-7)15-9(14)10(11,12)13/h3-6H,2H2,1H3
- InChI Key
- SYFKLDCFOVATRI-UHFFFAOYSA-N
- Formula
- C10H9F3O2
- SMILES
- CCc1cccc(OC(=O)C(F)(F)F)c1
- Molecular Weight1
- 218.17
- 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).
- IE : Ionization energy (eV).
- 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 | 0.4738 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -928.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.717 | Crippen Calculated Property | |
| McVol | 140.750 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | 1049.00 | NIST | |
| Tboil | 455.58 | K | Relay (1.0) Calculated Property |
| Tc | 631.43 | K | Relay (1.0) Calculated Property |
| Tfus | 236.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.507 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [324.41; 388.95] | J/mol×K | [512.86; 705.64] | 
|
| Cp,gas | 324.41 | J/mol×K | 512.86 | Joback Calculated Property |
| Cp,gas | 337.04 | J/mol×K | 544.99 | Joback Calculated Property |
| Cp,gas | 348.89 | J/mol×K | 577.12 | Joback Calculated Property |
| Cp,gas | 359.97 | J/mol×K | 609.25 | Joback Calculated Property |
| Cp,gas | 370.33 | J/mol×K | 641.38 | Joback Calculated Property |
| Cp,gas | 379.98 | J/mol×K | 673.51 | Joback Calculated Property |
| Cp,gas | 388.95 | J/mol×K | 705.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethylphenol, O-trifluoroacetyl-.
Sources
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