- InChI
- InChI=1S/C18H18O4S/c1-3-12-21-17(19)13-4-6-14(7-5-13)18(20)22-15-8-10-16(23-2)11-9-15/h4-11H,3,12H2,1-2H3
- InChI Key
- VPHUHSWTHPBCSS-UHFFFAOYSA-N
- Formula
- C18H18O4S
- SMILES
-
CCCOC(=O)c1ccc(C(=O)Oc2ccc(SC)
cc2)cc1 - Molecular Weight1
- 330.40
- 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° | -128.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 4.194 | Crippen Calculated Property | |
| McVol | 248.190 | ml/mol | McGowan Calculated Property |
| Pc | 2056.76 | kPa | Joback Calculated Property |
| Inp | [2858.00; 2858.00] |
|
|
| Inp | 2858.00 | NIST | |
| Inp | 2858.00 | NIST | |
| Tboil | 895.92 | K | Joback Calculated Property |
| Tc | 1138.18 | K | Joback Calculated Property |
| Tfus | 549.22 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.99; 769.68] | J/mol×K | [895.92; 1138.18] |
|
| Cp,gas | 717.99 | J/mol×K | 895.92 | Joback Calculated Property |
| Cp,gas | 730.18 | J/mol×K | 936.30 | Joback Calculated Property |
| Cp,gas | 740.92 | J/mol×K | 976.67 | Joback Calculated Property |
| Cp,gas | 750.21 | J/mol×K | 1017.05 | Joback Calculated Property |
| Cp,gas | 758.10 | J/mol×K | 1057.42 | Joback Calculated Property |
| Cp,gas | 764.58 | J/mol×K | 1097.80 | Joback Calculated Property |
| Cp,gas | 769.68 | J/mol×K | 1138.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 4-methylthiophenyl propyl ester.
Sources
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