- InChI
- InChI=1S/C27H44O4S/c1-5-8-9-10-11-12-13-14-15-16-19-22-30-25(28)27(6-2,7-3)26(29)31-23-20-17-18-21-24(23)32-4/h17-18,20-21H,5-16,19,22H2,1-4H3
- InChI Key
- CSEQVDFPTDFLOA-UHFFFAOYSA-N
- Formula
- C27H44O4S
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1ccccc1SC - Molecular Weight1
- 464.70
- 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° | -152.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.47 | kJ/mol | Joback Calculated Property |
| log10WS | -8.68 | Crippen Calculated Property | |
| logPoct/wat | 7.974 | Crippen Calculated Property | |
| McVol | 398.760 | ml/mol | McGowan Calculated Property |
| Pc | 882.62 | kPa | Joback Calculated Property |
| Inp | 3170.00 | NIST | |
| Tboil | 1066.95 | K | Joback Calculated Property |
| Tc | 1307.51 | K | Joback Calculated Property |
| Tfus | 614.13 | K | Joback Calculated Property |
| Vc | 1.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1363.83; 1433.66] | J/mol×K | [1066.95; 1307.51] | 
|
| Cp,gas | 1363.83 | J/mol×K | 1066.95 | Joback Calculated Property |
| Cp,gas | 1379.41 | J/mol×K | 1107.04 | Joback Calculated Property |
| Cp,gas | 1393.29 | J/mol×K | 1147.14 | Joback Calculated Property |
| Cp,gas | 1405.57 | J/mol×K | 1187.23 | Joback Calculated Property |
| Cp,gas | 1416.33 | J/mol×K | 1227.32 | Joback Calculated Property |
| Cp,gas | 1425.67 | J/mol×K | 1267.42 | Joback Calculated Property |
| Cp,gas | 1433.66 | J/mol×K | 1307.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-methylthiophenyl tridecyl ester.
Sources
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