- InChI
- InChI=1S/C14H18O4S/c1-3-17-13(15)9-6-10-14(16)18-11-7-4-5-8-12(11)19-2/h4-5,7-8H,3,6,9-10H2,1-2H3
- InChI Key
- ACKAYLPYEPAPTE-UHFFFAOYSA-N
- Formula
- C14H18O4S
- SMILES
- CCOC(=O)CCCC(=O)Oc1ccccc1SC
- Molecular Weight1
- 282.36
- 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° | -264.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 3.047 | Crippen Calculated Property | |
| McVol | 215.590 | ml/mol | McGowan Calculated Property |
| Pc | 2189.73 | kPa | Joback Calculated Property |
| Inp | 2316.00 | NIST | |
| Tboil | 772.74 | K | Joback Calculated Property |
| Tc | 992.64 | K | Joback Calculated Property |
| Tfus | 465.20 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.43; 660.13] | J/mol×K | [772.74; 992.64] | 
|
| Cp,gas | 594.43 | J/mol×K | 772.74 | Joback Calculated Property |
| Cp,gas | 608.07 | J/mol×K | 809.39 | Joback Calculated Property |
| Cp,gas | 620.63 | J/mol×K | 846.04 | Joback Calculated Property |
| Cp,gas | 632.12 | J/mol×K | 882.69 | Joback Calculated Property |
| Cp,gas | 642.54 | J/mol×K | 919.34 | Joback Calculated Property |
| Cp,gas | 651.87 | J/mol×K | 955.99 | Joback Calculated Property |
| Cp,gas | 660.13 | J/mol×K | 992.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 2-(methylthio)phenyl ester.
Sources
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