- InChI
- InChI=1S/C22H34O4S/c1-5-8-9-10-11-14-17-25-20(23)22(6-2,7-3)21(24)26-18-15-12-13-16-19(18)27-4/h12-13,15-16H,5-11,14,17H2,1-4H3
- InChI Key
- XQWFOAMWJNTPTN-UHFFFAOYSA-N
- Formula
- C22H34O4S
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccccc1SC - Molecular Weight1
- 394.57
- 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° | -194.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 6.024 | Crippen Calculated Property | |
| McVol | 328.310 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Joback Calculated Property |
| Inp | 2656.00 | NIST | |
| Tboil | 952.55 | K | Joback Calculated Property |
| Tc | 1172.52 | K | Joback Calculated Property |
| Tfus | 557.78 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1056.77; 1126.88] | J/mol×K | [952.55; 1172.52] | 
|
| Cp,gas | 1056.77 | J/mol×K | 952.55 | Joback Calculated Property |
| Cp,gas | 1071.72 | J/mol×K | 989.21 | Joback Calculated Property |
| Cp,gas | 1085.30 | J/mol×K | 1025.87 | Joback Calculated Property |
| Cp,gas | 1097.56 | J/mol×K | 1062.53 | Joback Calculated Property |
| Cp,gas | 1108.54 | J/mol×K | 1099.19 | Joback Calculated Property |
| Cp,gas | 1118.30 | J/mol×K | 1135.86 | Joback Calculated Property |
| Cp,gas | 1126.88 | J/mol×K | 1172.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-methylthiophenyl octyl ester.
Sources
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