- InChI
- InChI=1S/C19H20O4S/c1-13(2)12-22-18(20)14-4-6-15(7-5-14)19(21)23-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3
- InChI Key
- JTFYCFZJDIWATP-UHFFFAOYSA-N
- Formula
- C19H20O4S
- SMILES
-
CSc1ccc(OC(=O)c2ccc(C(=O)OCC(C
)C)cc2)cc1 - Molecular Weight1
- 344.43
- 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° | -122.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 4.440 | Crippen Calculated Property | |
| McVol | 262.280 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | [2912.00; 2912.00] |
|
|
| Inp | 2912.00 | NIST | |
| Inp | 2912.00 | NIST | |
| Tboil | 918.36 | K | Joback Calculated Property |
| Tc | 1160.99 | K | Joback Calculated Property |
| Tfus | 545.49 | K | Joback Calculated Property |
| Vc | 0.980 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [775.28; 826.74] | J/mol×K | [918.36; 1160.99] |
|
| Cp,gas | 775.28 | J/mol×K | 918.36 | Joback Calculated Property |
| Cp,gas | 787.61 | J/mol×K | 958.80 | Joback Calculated Property |
| Cp,gas | 798.40 | J/mol×K | 999.24 | Joback Calculated Property |
| Cp,gas | 807.69 | J/mol×K | 1039.68 | Joback Calculated Property |
| Cp,gas | 815.49 | J/mol×K | 1080.11 | Joback Calculated Property |
| Cp,gas | 821.83 | J/mol×K | 1120.55 | Joback Calculated Property |
| Cp,gas | 826.74 | J/mol×K | 1160.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, isobutyl 4-methylthiophenyl ester.
Sources
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