- InChI
- InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17(2,3)20/h20H,4-15H2,1-3H3
- InChI Key
- WUIHIVJGQGIMMG-UHFFFAOYSA-N
- Formula
- C17H34O2S
- SMILES
- CCCCCCCCCCCC(=O)OCCC(C)(C)S
- Molecular Weight1
- 302.52
- 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.
- I : 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° | -109.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.03 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 5.549 | Crippen Calculated Property | |
| McVol | 274.180 | ml/mol | McGowan Calculated Property |
| Pc | 1350.65 | kPa | Joback Calculated Property |
| Inp | 2082.00 | NIST | |
| I | 2557.00 | NIST | |
| Tboil | 724.28 | K | Joback Calculated Property |
| Tc | 911.43 | K | Joback Calculated Property |
| Tfus | 392.39 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.37; 895.59] | J/mol×K | [724.28; 911.43] | 
|
| Cp,gas | 799.37 | J/mol×K | 724.28 | Joback Calculated Property |
| Cp,gas | 817.72 | J/mol×K | 755.47 | Joback Calculated Property |
| Cp,gas | 835.10 | J/mol×K | 786.66 | Joback Calculated Property |
| Cp,gas | 851.53 | J/mol×K | 817.85 | Joback Calculated Property |
| Cp,gas | 867.07 | J/mol×K | 849.05 | Joback Calculated Property |
| Cp,gas | 881.74 | J/mol×K | 880.24 | Joback Calculated Property |
| Cp,gas | 895.59 | J/mol×K | 911.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-sulfanylbutyl Dodecanoate.
Sources
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