- InChI
- InChI=1S/C9H7F3O2/c1-5(13)14-4-6-7(10)2-3-8(11)9(6)12/h2-3H,4H2,1H3
- InChI Key
- UFIWXJARBOUIJO-UHFFFAOYSA-N
- Formula
- C9H7F3O2
- SMILES
- CC(=O)OCc1c(F)ccc(F)c1F
- Molecular Weight1
- 204.15
- 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° | -709.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.167 | Crippen Calculated Property | |
| McVol | 126.660 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | 1177.00 | NIST | |
| Tboil | 521.04 | K | Joback Calculated Property |
| Tc | 709.89 | K | Joback Calculated Property |
| Tfus | 329.10 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.60; 333.50] | J/mol×K | [521.04; 709.89] | 
|
| Cp,gas | 280.60 | J/mol×K | 521.04 | Joback Calculated Property |
| Cp,gas | 290.49 | J/mol×K | 552.51 | Joback Calculated Property |
| Cp,gas | 299.95 | J/mol×K | 583.99 | Joback Calculated Property |
| Cp,gas | 308.98 | J/mol×K | 615.46 | Joback Calculated Property |
| Cp,gas | 317.58 | J/mol×K | 646.94 | Joback Calculated Property |
| Cp,gas | 325.75 | J/mol×K | 678.41 | Joback Calculated Property |
| Cp,gas | 333.50 | J/mol×K | 709.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (2,3,6-trifluorophenyl)methyl ester.
Sources
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