- InChI
- InChI=1S/C24H38O4S/c1-5-8-9-10-11-12-13-16-19-27-22(25)24(6-2,7-3)23(26)28-20-17-14-15-18-21(20)29-4/h14-15,17-18H,5-13,16,19H2,1-4H3
- InChI Key
- YWDROAFFNSVCQP-UHFFFAOYSA-N
- Formula
- C24H38O4S
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
Oc1ccccc1SC - Molecular Weight1
- 422.62
- 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° | -177.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.79 | kJ/mol | Joback Calculated Property |
| log10WS | -7.43 | Crippen Calculated Property | |
| logPoct/wat | 6.804 | Crippen Calculated Property | |
| McVol | 356.490 | ml/mol | McGowan Calculated Property |
| Pc | 1055.51 | kPa | Joback Calculated Property |
| Inp | 2861.00 | NIST | |
| Tboil | 998.31 | K | Joback Calculated Property |
| Tc | 1223.44 | K | Joback Calculated Property |
| Tfus | 580.32 | K | Joback Calculated Property |
| Vc | 1.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1178.33; 1248.30] | J/mol×K | [998.31; 1223.44] | 
|
| Cp,gas | 1178.33 | J/mol×K | 998.31 | Joback Calculated Property |
| Cp,gas | 1193.47 | J/mol×K | 1035.83 | Joback Calculated Property |
| Cp,gas | 1207.13 | J/mol×K | 1073.35 | Joback Calculated Property |
| Cp,gas | 1219.39 | J/mol×K | 1110.87 | Joback Calculated Property |
| Cp,gas | 1230.30 | J/mol×K | 1148.39 | Joback Calculated Property |
| Cp,gas | 1239.91 | J/mol×K | 1185.92 | Joback Calculated Property |
| Cp,gas | 1248.30 | J/mol×K | 1223.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, decyl 2-methylthiophenyl ester.
Sources
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