- InChI
- InChI=1S/C14H10F2O3/c1-18-9-5-7-10(8-6-9)19-14(17)13-11(15)3-2-4-12(13)16/h2-8H,1H3
- InChI Key
- LTRQIHIOCBEFTR-UHFFFAOYSA-N
- Formula
- C14H10F2O3
- SMILES
- COc1ccc(OC(=O)c2c(F)cccc2F)cc1
- Molecular Weight1
- 264.22
- 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 | 0.6846 | Relay (... Calculated Property | |
| ΔfG° | -465.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.41 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -4.85 | Relay (... Calculated Property | |
| logPoct/wat | 3.193 | Crippen Calculated Property | |
| McVol | 177.450 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [1854.00; 1854.00] |
|
|
| Inp | 1854.00 | NIST | |
| Inp | 1854.00 | NIST | |
| Tboil | 597.42 | K | Relay (... Calculated Property |
| Tc | 842.70 | K | Relay (... Calculated Property |
| Tfus | 342.31 | K | Relay (... Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [453.84; 517.97] | J/mol×K | [685.27; 905.92] |
|
| Cp,gas | 453.84 | J/mol×K | 685.27 | Joback Calculated Property |
| Cp,gas | 466.79 | J/mol×K | 722.04 | Joback Calculated Property |
| Cp,gas | 478.83 | J/mol×K | 758.82 | Joback Calculated Property |
| Cp,gas | 489.96 | J/mol×K | 795.59 | Joback Calculated Property |
| Cp,gas | 500.19 | J/mol×K | 832.37 | Joback Calculated Property |
| Cp,gas | 509.52 | J/mol×K | 869.14 | Joback Calculated Property |
| Cp,gas | 517.97 | J/mol×K | 905.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, 4-methoxyphenyl ester.
Sources
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