- InChI
- InChI=1S/C20H22O4S/c1-3-4-5-14-23-19(21)15-6-8-16(9-7-15)20(22)24-17-10-12-18(25-2)13-11-17/h6-13H,3-5,14H2,1-2H3
- InChI Key
- QRAPGTWYJQKVEA-UHFFFAOYSA-N
- Formula
- C20H22O4S
- SMILES
-
CCCCCOC(=O)c1ccc(C(=O)Oc2ccc(S
C)cc2)cc1 - Molecular Weight1
- 358.45
- 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° | -111.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 4.975 | Crippen Calculated Property | |
| McVol | 276.370 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Inp | [3022.00; 3022.00] |
|
|
| Inp | 3022.00 | NIST | |
| Inp | 3022.00 | NIST | |
| Tboil | 941.68 | K | Joback Calculated Property |
| Tc | 1178.95 | K | Joback Calculated Property |
| Tfus | 571.76 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.19; 883.42] | J/mol×K | [941.68; 1178.95] |
|
| Cp,gas | 832.19 | J/mol×K | 941.68 | Joback Calculated Property |
| Cp,gas | 844.38 | J/mol×K | 981.23 | Joback Calculated Property |
| Cp,gas | 855.08 | J/mol×K | 1020.77 | Joback Calculated Property |
| Cp,gas | 864.30 | J/mol×K | 1060.32 | Joback Calculated Property |
| Cp,gas | 872.08 | J/mol×K | 1099.86 | Joback Calculated Property |
| Cp,gas | 878.44 | J/mol×K | 1139.41 | Joback Calculated Property |
| Cp,gas | 883.42 | J/mol×K | 1178.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 4-methylthiophenyl pentyl ester.
Sources
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