- InChI
- InChI=1S/C25H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27-25(26)23-28-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3
- InChI Key
- OPUIWWIJLMCXDQ-UHFFFAOYSA-N
- Formula
- C25H42O2S
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CSc1ccc
cc1 - Molecular Weight1
- 406.67
- 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° | 71.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.49 | kJ/mol | Joback Calculated Property |
| log10WS | -8.61 | Crippen Calculated Property | |
| logPoct/wat | 8.193 | Crippen Calculated Property | |
| McVol | 363.140 | ml/mol | McGowan Calculated Property |
| Pc | 962.08 | kPa | Joback Calculated Property |
| Inp | [3101.00; 3101.00] |
|
|
| Inp | 3101.00 | NIST | |
| Inp | 3101.00 | NIST | |
| Tboil | 943.15 | K | Joback Calculated Property |
| Tc | 1155.57 | K | Joback Calculated Property |
| Tfus | 504.49 | K | Joback Calculated Property |
| Vc | 1.405 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.24; 1285.53] | J/mol×K | [943.15; 1155.57] |
|
| Cp,gas | 1196.24 | J/mol×K | 943.15 | Joback Calculated Property |
| Cp,gas | 1214.38 | J/mol×K | 978.55 | Joback Calculated Property |
| Cp,gas | 1231.13 | J/mol×K | 1013.96 | Joback Calculated Property |
| Cp,gas | 1246.57 | J/mol×K | 1049.36 | Joback Calculated Property |
| Cp,gas | 1260.74 | J/mol×K | 1084.76 | Joback Calculated Property |
| Cp,gas | 1273.70 | J/mol×K | 1120.17 | Joback Calculated Property |
| Cp,gas | 1285.53 | J/mol×K | 1155.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, heptadecyl ester.
Sources
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