- InChI
- InChI=1S/C19H28O4S/c1-5-8-11-14-22-17(20)19(6-2,7-3)18(21)23-15-12-9-10-13-16(15)24-4/h9-10,12-13H,5-8,11,14H2,1-4H3
- InChI Key
- XOIVTZFXAROWIQ-UHFFFAOYSA-N
- Formula
- C19H28O4S
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc
ccc1SC - Molecular Weight1
- 352.49
- 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° | -220.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.854 | Crippen Calculated Property | |
| McVol | 286.040 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | 2365.00 | NIST | |
| Tboil | 883.91 | K | Joback Calculated Property |
| Tc | 1102.61 | K | Joback Calculated Property |
| Tfus | 523.97 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.56; 948.54] | J/mol×K | [883.91; 1102.61] | 
|
| Cp,gas | 878.56 | J/mol×K | 883.91 | Joback Calculated Property |
| Cp,gas | 893.29 | J/mol×K | 920.36 | Joback Calculated Property |
| Cp,gas | 906.75 | J/mol×K | 956.81 | Joback Calculated Property |
| Cp,gas | 918.96 | J/mol×K | 993.26 | Joback Calculated Property |
| Cp,gas | 929.97 | J/mol×K | 1029.71 | Joback Calculated Property |
| Cp,gas | 939.82 | J/mol×K | 1066.16 | Joback Calculated Property |
| Cp,gas | 948.54 | J/mol×K | 1102.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-methylthiophenyl pentyl ester.
Sources
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