- InChI
- InChI=1S/C19H38OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3
- InChI Key
- DDWFINHOUDVUAO-UHFFFAOYSA-N
- Formula
- C19H38OS
- SMILES
- CCCCCCCCCCCCCCCC(=O)SCCC
- Molecular Weight1
- 314.57
- 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° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.43 | Crippen Calculated Property | |
| logPoct/wat | 7.138 | Crippen Calculated Property | |
| McVol | 296.490 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | [2249.00; 2249.00] |
|
|
| Inp | 2249.00 | NIST | |
| Inp | 2249.00 | NIST | |
| Tboil | 756.77 | K | Joback Calculated Property |
| Tc | 938.45 | K | Joback Calculated Property |
| Tfus | 388.22 | K | Joback Calculated Property |
| Vc | 1.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [888.69; 988.42] | J/mol×K | [756.77; 938.45] |
|
| Cp,gas | 888.69 | J/mol×K | 756.77 | Joback Calculated Property |
| Cp,gas | 907.65 | J/mol×K | 787.05 | Joback Calculated Property |
| Cp,gas | 925.63 | J/mol×K | 817.33 | Joback Calculated Property |
| Cp,gas | 942.67 | J/mol×K | 847.61 | Joback Calculated Property |
| Cp,gas | 958.79 | J/mol×K | 877.89 | Joback Calculated Property |
| Cp,gas | 974.03 | J/mol×K | 908.17 | Joback Calculated Property |
| Cp,gas | 988.42 | J/mol×K | 938.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Propylhexadecanthioate.
Sources
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