- InChI
- InChI=1S/C28H46O4S/c1-5-8-9-10-11-12-13-14-15-16-17-20-23-31-26(29)28(6-2,7-3)27(30)32-24-21-18-19-22-25(24)33-4/h18-19,21-22H,5-17,20,23H2,1-4H3
- InChI Key
- URIPXTJCBXXHIH-UHFFFAOYSA-N
- Formula
- C28H46O4S
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C
(=O)Oc1ccccc1SC - Molecular Weight1
- 478.73
- 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° | -144.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -852.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.69 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 8.365 | Crippen Calculated Property | |
| McVol | 412.850 | ml/mol | McGowan Calculated Property |
| Pc | 834.35 | kPa | Joback Calculated Property |
| Inp | 3273.00 | NIST | |
| Tboil | 1089.83 | K | Joback Calculated Property |
| Tc | 1337.88 | K | Joback Calculated Property |
| Tfus | 625.40 | K | Joback Calculated Property |
| Vc | 1.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1426.35; 1496.19] | J/mol×K | [1089.83; 1337.88] | 
|
| Cp,gas | 1426.35 | J/mol×K | 1089.83 | Joback Calculated Property |
| Cp,gas | 1442.13 | J/mol×K | 1131.17 | Joback Calculated Property |
| Cp,gas | 1456.12 | J/mol×K | 1172.51 | Joback Calculated Property |
| Cp,gas | 1468.42 | J/mol×K | 1213.85 | Joback Calculated Property |
| Cp,gas | 1479.13 | J/mol×K | 1255.19 | Joback Calculated Property |
| Cp,gas | 1488.35 | J/mol×K | 1296.53 | Joback Calculated Property |
| Cp,gas | 1496.19 | J/mol×K | 1337.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-methylthiophenyl tetradecyl ester.
Sources
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