- InChI
- InChI=1S/C15H20O4S/c1-3-11-18-14(16)9-6-10-15(17)19-12-7-4-5-8-13(12)20-2/h4-5,7-8H,3,6,9-11H2,1-2H3
- InChI Key
- OORWFXCQLAZLNX-UHFFFAOYSA-N
- Formula
- C15H20O4S
- SMILES
- CCCOC(=O)CCCC(=O)Oc1ccccc1SC
- Molecular Weight1
- 296.38
- 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° | -256.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.437 | Crippen Calculated Property | |
| McVol | 229.680 | ml/mol | McGowan Calculated Property |
| Pc | 2005.50 | kPa | Joback Calculated Property |
| Inp | 2434.00 | NIST | |
| Tboil | 795.62 | K | Joback Calculated Property |
| Tc | 1012.87 | K | Joback Calculated Property |
| Tfus | 476.47 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.30; 716.10] | J/mol×K | [795.62; 1012.87] | 
|
| Cp,gas | 649.30 | J/mol×K | 795.62 | Joback Calculated Property |
| Cp,gas | 663.21 | J/mol×K | 831.83 | Joback Calculated Property |
| Cp,gas | 676.01 | J/mol×K | 868.04 | Joback Calculated Property |
| Cp,gas | 687.69 | J/mol×K | 904.24 | Joback Calculated Property |
| Cp,gas | 698.26 | J/mol×K | 940.45 | Joback Calculated Property |
| Cp,gas | 707.73 | J/mol×K | 976.66 | Joback Calculated Property |
| Cp,gas | 716.10 | J/mol×K | 1012.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-(methylthio)phenyl propyl ester.
Sources
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