- InChI
- InChI=1S/C19H19FO5/c1-12(2)11-24-18(21)13-4-6-14(7-5-13)19(22)25-16-9-8-15(20)10-17(16)23-3/h4-10,12H,11H2,1-3H3
- InChI Key
- RLHXLJIDMHPWCF-UHFFFAOYSA-N
- Formula
- C19H19FO5
- SMILES
-
COc1cc(F)ccc1OC(=O)c1ccc(C(=O)
OCC(C)C)cc1 - Molecular Weight1
- 346.35
- 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° | -465.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.866 | Crippen Calculated Property | |
| McVol | 253.570 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | 2652.00 | NIST | |
| Tboil | 876.25 | K | Joback Calculated Property |
| Tc | 1098.58 | K | Joback Calculated Property |
| Tfus | 546.43 | K | Joback Calculated Property |
| Vc | 0.962 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.78; 814.10] | J/mol×K | [876.25; 1098.58] | 
|
| Cp,gas | 756.78 | J/mol×K | 876.25 | Joback Calculated Property |
| Cp,gas | 769.63 | J/mol×K | 913.30 | Joback Calculated Property |
| Cp,gas | 781.16 | J/mol×K | 950.36 | Joback Calculated Property |
| Cp,gas | 791.36 | J/mol×K | 987.41 | Joback Calculated Property |
| Cp,gas | 800.25 | J/mol×K | 1024.47 | Joback Calculated Property |
| Cp,gas | 807.83 | J/mol×K | 1061.52 | Joback Calculated Property |
| Cp,gas | 814.10 | J/mol×K | 1098.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 4-fluoro-2-methoxyphenyl isobutyl ester.
Sources
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