- InChI
- InChI=1S/C24H48O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(25)26-22-21-23(27)19-4-2/h23,27H,3-22H2,1-2H3
- InChI Key
- KYFUWFDMLLFQOE-UHFFFAOYSA-N
- Formula
- C24H48O2S
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCCC(S)C
CC - Molecular Weight1
- 400.70
- 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° | -55.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.52 | kJ/mol | Joback Calculated Property |
| log10WS | -8.92 | Crippen Calculated Property | |
| logPoct/wat | 8.280 | Crippen Calculated Property | |
| McVol | 372.810 | ml/mol | McGowan Calculated Property |
| Pc | 863.02 | kPa | Joback Calculated Property |
| Inp | 2816.00 | NIST | |
| Tboil | 887.23 | K | Joback Calculated Property |
| Tc | 1086.22 | K | Joback Calculated Property |
| Tfus | 453.86 | K | Joback Calculated Property |
| Vc | 1.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1225.53; 1331.75] | J/mol×K | [887.23; 1086.22] | 
|
| Cp,gas | 1225.53 | J/mol×K | 887.23 | Joback Calculated Property |
| Cp,gas | 1246.28 | J/mol×K | 920.40 | Joback Calculated Property |
| Cp,gas | 1265.75 | J/mol×K | 953.56 | Joback Calculated Property |
| Cp,gas | 1283.98 | J/mol×K | 986.73 | Joback Calculated Property |
| Cp,gas | 1301.02 | J/mol×K | 1019.89 | Joback Calculated Property |
| Cp,gas | 1316.93 | J/mol×K | 1053.06 | Joback Calculated Property |
| Cp,gas | 1331.75 | J/mol×K | 1086.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanylhexyl Octadodecanoate.
Sources
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