- InChI
- InChI=1S/C16H32O2S/c1-3-5-6-7-8-9-10-12-16(17)18-14-13-15(19)11-4-2/h15,19H,3-14H2,1-2H3
- InChI Key
- NILAQKBTIHPRCL-UHFFFAOYSA-N
- Formula
- C16H32O2S
- SMILES
- CCCCCCCCCC(=O)OCCC(S)CCC
- Molecular Weight1
- 288.49
- 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° | -123.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.57 | Crippen Calculated Property | |
| logPoct/wat | 5.159 | Crippen Calculated Property | |
| McVol | 260.090 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Inp | 2003.00 | NIST | |
| I | 2480.00 | NIST | |
| Tboil | 704.19 | K | Joback Calculated Property |
| Tc | 887.63 | K | Joback Calculated Property |
| Tfus | 363.70 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.51; 834.77] | J/mol×K | [704.19; 887.63] | 
|
| Cp,gas | 740.51 | J/mol×K | 704.19 | Joback Calculated Property |
| Cp,gas | 758.38 | J/mol×K | 734.76 | Joback Calculated Property |
| Cp,gas | 775.36 | J/mol×K | 765.34 | Joback Calculated Property |
| Cp,gas | 791.47 | J/mol×K | 795.91 | Joback Calculated Property |
| Cp,gas | 806.73 | J/mol×K | 826.48 | Joback Calculated Property |
| Cp,gas | 821.16 | J/mol×K | 857.06 | Joback Calculated Property |
| Cp,gas | 834.77 | J/mol×K | 887.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Sulfanylhexyl Decanoate.
Sources
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