- InChI
- InChI=1S/C26H44O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-26(27)24-29-25-21-18-17-19-22-25/h17-19,21-22H,2-16,20,23-24H2,1H3
- InChI Key
- LLEQKQGEZSVVFL-UHFFFAOYSA-N
- Formula
- C26H44O2S
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CSc1cc
ccc1 - Molecular Weight1
- 420.69
- 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° | 79.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.72 | kJ/mol | Joback Calculated Property |
| log10WS | -9.03 | Crippen Calculated Property | |
| logPoct/wat | 8.583 | Crippen Calculated Property | |
| McVol | 377.230 | ml/mol | McGowan Calculated Property |
| Pc | 907.24 | kPa | Joback Calculated Property |
| Inp | [3233.00; 3233.00] |
|
|
| Inp | 3233.00 | NIST | |
| Inp | 3233.00 | NIST | |
| Tboil | 966.03 | K | Joback Calculated Property |
| Tc | 1182.75 | K | Joback Calculated Property |
| Tfus | 515.76 | K | Joback Calculated Property |
| Vc | 1.462 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1258.95; 1348.90] | J/mol×K | [966.03; 1182.75] |
|
| Cp,gas | 1258.95 | J/mol×K | 966.03 | Joback Calculated Property |
| Cp,gas | 1277.33 | J/mol×K | 1002.15 | Joback Calculated Property |
| Cp,gas | 1294.27 | J/mol×K | 1038.27 | Joback Calculated Property |
| Cp,gas | 1309.83 | J/mol×K | 1074.39 | Joback Calculated Property |
| Cp,gas | 1324.08 | J/mol×K | 1110.51 | Joback Calculated Property |
| Cp,gas | 1337.08 | J/mol×K | 1146.63 | Joback Calculated Property |
| Cp,gas | 1348.90 | J/mol×K | 1182.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio) acetic acid, octadecyl ester.
Sources
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