- InChI
- InChI=1S/C21H24O4S2/c1-5-21(6-2,19(22)24-15-11-7-9-13-17(15)26-3)20(23)25-16-12-8-10-14-18(16)27-4/h7-14H,5-6H2,1-4H3
- InChI Key
- ZYKIUWUJXHNJIR-UHFFFAOYSA-N
- Formula
- C21H24O4S2
- SMILES
-
CCC(CC)(C(=O)Oc1ccccc1SC)C(=O)
Oc1ccccc1SC - Molecular Weight1
- 404.54
- 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° | -67.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.87 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.448 | Crippen Calculated Property | |
| McVol | 306.810 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | 2971.00 | NIST | |
| Tboil | 1030.11 | K | Joback Calculated Property |
| Tc | 1285.90 | K | Joback Calculated Property |
| Tfus | 619.85 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.38; 973.04] | J/mol×K | [1030.11; 1285.90] | 
|
| Cp,gas | 937.38 | J/mol×K | 1030.11 | Joback Calculated Property |
| Cp,gas | 947.34 | J/mol×K | 1072.74 | Joback Calculated Property |
| Cp,gas | 955.61 | J/mol×K | 1115.37 | Joback Calculated Property |
| Cp,gas | 962.26 | J/mol×K | 1158.00 | Joback Calculated Property |
| Cp,gas | 967.34 | J/mol×K | 1200.64 | Joback Calculated Property |
| Cp,gas | 970.91 | J/mol×K | 1243.27 | Joback Calculated Property |
| Cp,gas | 973.04 | J/mol×K | 1285.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2-methylthiophenyl) ester.
Sources
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