- InChI
- InChI=1S/C9H6F4O2/c1-4(14)15-3-5-2-6(10)8(12)9(13)7(5)11/h2H,3H2,1H3
- InChI Key
- CFNOCQKFYCWUAD-UHFFFAOYSA-N
- Formula
- C9H6F4O2
- SMILES
- CC(=O)OCc1cc(F)c(F)c(F)c1F
- Molecular Weight1
- 222.14
- 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° | -914.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1067.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 2.306 | Crippen Calculated Property | |
| McVol | 128.430 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Inp | 1142.00 | NIST | |
| Tboil | 525.29 | K | Joback Calculated Property |
| Tc | 706.43 | K | Joback Calculated Property |
| Tfus | 342.21 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.47; 337.83] | J/mol×K | [525.29; 706.43] | 
|
| Cp,gas | 288.47 | J/mol×K | 525.29 | Joback Calculated Property |
| Cp,gas | 297.61 | J/mol×K | 555.48 | Joback Calculated Property |
| Cp,gas | 306.39 | J/mol×K | 585.67 | Joback Calculated Property |
| Cp,gas | 314.80 | J/mol×K | 615.86 | Joback Calculated Property |
| Cp,gas | 322.85 | J/mol×K | 646.05 | Joback Calculated Property |
| Cp,gas | 330.53 | J/mol×K | 676.24 | Joback Calculated Property |
| Cp,gas | 337.83 | J/mol×K | 706.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (2,3,4,5-tetrafluorophenyl)methyl ester.
Sources
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