- InChI
- InChI=1S/C24H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-24(25)22-27-23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
- InChI Key
- XUTDABKADWXICQ-UHFFFAOYSA-N
- Formula
- C24H40O2S
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CSc1cccc
c1 - Molecular Weight1
- 392.64
- 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° | 62.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.27 | kJ/mol | Joback Calculated Property |
| log10WS | -8.19 | Crippen Calculated Property | |
| logPoct/wat | 7.803 | Crippen Calculated Property | |
| McVol | 349.050 | ml/mol | McGowan Calculated Property |
| Pc | 1022.04 | kPa | Joback Calculated Property |
| Inp | [2934.00; 2934.00] |
|
|
| Inp | 2934.00 | NIST | |
| Inp | 2934.00 | NIST | |
| Tboil | 920.27 | K | Joback Calculated Property |
| Tc | 1129.35 | K | Joback Calculated Property |
| Tfus | 493.22 | K | Joback Calculated Property |
| Vc | 1.349 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1134.04; 1222.74] | J/mol×K | [920.27; 1129.35] |
|
| Cp,gas | 1134.04 | J/mol×K | 920.27 | Joback Calculated Property |
| Cp,gas | 1151.96 | J/mol×K | 955.12 | Joback Calculated Property |
| Cp,gas | 1168.55 | J/mol×K | 989.96 | Joback Calculated Property |
| Cp,gas | 1183.88 | J/mol×K | 1024.81 | Joback Calculated Property |
| Cp,gas | 1197.98 | J/mol×K | 1059.65 | Joback Calculated Property |
| Cp,gas | 1210.92 | J/mol×K | 1094.50 | Joback Calculated Property |
| Cp,gas | 1222.74 | J/mol×K | 1129.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, hexadecyl ester.
Sources
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