- InChI
- InChI=1S/C18H26O4S/c1-5-8-13-21-16(19)18(6-2,7-3)17(20)22-14-11-9-10-12-15(14)23-4/h9-12H,5-8,13H2,1-4H3
- InChI Key
- YEXOVYVKSIKZHJ-UHFFFAOYSA-N
- Formula
- C18H26O4S
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc
cc1SC - Molecular Weight1
- 338.46
- 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° | -228.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.464 | Crippen Calculated Property | |
| McVol | 271.950 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | 2275.00 | NIST | |
| Tboil | 861.03 | K | Joback Calculated Property |
| Tc | 1080.82 | K | Joback Calculated Property |
| Tfus | 512.70 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.49; 890.21] | J/mol×K | [861.03; 1080.82] | 
|
| Cp,gas | 820.49 | J/mol×K | 861.03 | Joback Calculated Property |
| Cp,gas | 835.13 | J/mol×K | 897.66 | Joback Calculated Property |
| Cp,gas | 848.52 | J/mol×K | 934.29 | Joback Calculated Property |
| Cp,gas | 860.68 | J/mol×K | 970.93 | Joback Calculated Property |
| Cp,gas | 871.67 | J/mol×K | 1007.56 | Joback Calculated Property |
| Cp,gas | 881.50 | J/mol×K | 1044.19 | Joback Calculated Property |
| Cp,gas | 890.21 | J/mol×K | 1080.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 2-methylthiophenyl ester.
Sources
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