- InChI
- InChI=1S/C16H22O4S/c1-3-4-12-19-15(17)10-7-11-16(18)20-13-8-5-6-9-14(13)21-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3
- InChI Key
- UGQWDHANQSVOGT-UHFFFAOYSA-N
- Formula
- C16H22O4S
- SMILES
- CCCCOC(=O)CCCC(=O)Oc1ccccc1SC
- Molecular Weight1
- 310.41
- 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° | -248.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.828 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1843.58 | kPa | Joback Calculated Property |
| Inp | [2546.00; 2546.00] |
|
|
| Inp | 2546.00 | NIST | |
| Inp | 2546.00 | NIST | |
| Tboil | 818.50 | K | Joback Calculated Property |
| Tc | 1033.67 | K | Joback Calculated Property |
| Tfus | 487.74 | K | Joback Calculated Property |
| Vc | 0.925 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.15; 772.72] | J/mol×K | [818.50; 1033.67] |
|
| Cp,gas | 705.15 | J/mol×K | 818.50 | Joback Calculated Property |
| Cp,gas | 719.27 | J/mol×K | 854.36 | Joback Calculated Property |
| Cp,gas | 732.24 | J/mol×K | 890.22 | Joback Calculated Property |
| Cp,gas | 744.06 | J/mol×K | 926.08 | Joback Calculated Property |
| Cp,gas | 754.75 | J/mol×K | 961.94 | Joback Calculated Property |
| Cp,gas | 764.30 | J/mol×K | 997.80 | Joback Calculated Property |
| Cp,gas | 772.72 | J/mol×K | 1033.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 2-(methylthio)phenyl ester.
Sources
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