- InChI
- InChI=1S/C14H10F2O2/c1-9-2-4-10(5-3-9)14(17)18-13-7-11(15)6-12(16)8-13/h2-8H,1H3
- InChI Key
- TTYLRXFZZGUFKF-UHFFFAOYSA-N
- Formula
- C14H10F2O2
- SMILES
-
Cc1ccc(C(=O)Oc2cc(F)cc(F)c2)cc
1 - Molecular Weight1
- 248.22
- Other Names
-
- p-Toluylic acid, 3,5-difluorophenyl ester
- 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° | -360.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 171.580 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [1711.70; 1711.70] |
|
|
| Inp | 1711.70 | NIST | |
| Inp | 1711.70 | NIST | |
| Tboil | 662.85 | K | Joback Calculated Property |
| Tc | 886.28 | K | Joback Calculated Property |
| Tfus | 411.28 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.07; 495.04] | J/mol×K | [662.85; 886.28] |
|
| Cp,gas | 429.07 | J/mol×K | 662.85 | Joback Calculated Property |
| Cp,gas | 442.31 | J/mol×K | 700.09 | Joback Calculated Property |
| Cp,gas | 454.63 | J/mol×K | 737.33 | Joback Calculated Property |
| Cp,gas | 466.03 | J/mol×K | 774.57 | Joback Calculated Property |
| Cp,gas | 476.55 | J/mol×K | 811.80 | Joback Calculated Property |
| Cp,gas | 486.21 | J/mol×K | 849.04 | Joback Calculated Property |
| Cp,gas | 495.04 | J/mol×K | 886.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 3,5-difluorophenyl ester.
Sources
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