- InChI
- InChI=1S/C18H34O3S/c1-4-7-9-12-17(19)21-15-14-16(11-6-3)22-18(20)13-10-8-5-2/h16H,4-15H2,1-3H3
- InChI Key
- HVKJBXIPCUJLMA-UHFFFAOYSA-N
- Formula
- C18H34O3S
- SMILES
- CCCCCC(=O)OCCC(CCC)SC(=O)CCCCC
- Molecular Weight1
- 330.53
- 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).
- 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° | -231.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 5.509 | Crippen Calculated Property | |
| McVol | 289.840 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| I | [2608.00; 2608.00] |
|
|
| I | 2608.00 | NIST | |
| I | 2608.00 | NIST | |
| Tboil | 809.74 | K | Joback Calculated Property |
| Tc | 1001.80 | K | Joback Calculated Property |
| Tfus | 434.11 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.45; 972.28] | J/mol×K | [809.74; 1001.80] |
|
| Cp,gas | 885.45 | J/mol×K | 809.74 | Joback Calculated Property |
| Cp,gas | 902.48 | J/mol×K | 841.75 | Joback Calculated Property |
| Cp,gas | 918.46 | J/mol×K | 873.76 | Joback Calculated Property |
| Cp,gas | 933.41 | J/mol×K | 905.77 | Joback Calculated Property |
| Cp,gas | 947.35 | J/mol×K | 937.78 | Joback Calculated Property |
| Cp,gas | 960.30 | J/mol×K | 969.79 | Joback Calculated Property |
| Cp,gas | 972.28 | J/mol×K | 1001.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(hexanoylthio) hexyl hexanoate.
Sources
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