- InChI
- InChI=1S/C10H9F3O3/c1-3-16-10(14)5-4-6(11)8(13)9(15-2)7(5)12/h4H,3H2,1-2H3
- InChI Key
- ZXFYRSUEOKXKOQ-UHFFFAOYSA-N
- Formula
- C10H9F3O3
- SMILES
- CCOC(=O)c1cc(F)c(F)c(OC)c1F
- Molecular Weight1
- 234.17
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6148 | Relay (... Calculated Property | |
| ΔfG° | -816.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.30 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -3.65 | Relay (... Calculated Property | |
| logPoct/wat | 2.289 | Crippen Calculated Property | |
| McVol | 146.620 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Inp | 1334.00 | NIST | |
| Tboil | 505.99 | K | Relay (... Calculated Property |
| Tc | 700.36 | K | Relay (... Calculated Property |
| Tfus | 293.96 | K | Relay (... Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.98; 403.88] | J/mol×K | [571.32; 757.81] | 
|
| Cp,gas | 346.98 | J/mol×K | 571.32 | Joback Calculated Property |
| Cp,gas | 357.54 | J/mol×K | 602.40 | Joback Calculated Property |
| Cp,gas | 367.69 | J/mol×K | 633.48 | Joback Calculated Property |
| Cp,gas | 377.41 | J/mol×K | 664.57 | Joback Calculated Property |
| Cp,gas | 386.69 | J/mol×K | 695.65 | Joback Calculated Property |
| Cp,gas | 395.52 | J/mol×K | 726.73 | Joback Calculated Property |
| Cp,gas | 403.88 | J/mol×K | 757.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, ethyl ester.
Sources
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