- InChI
- InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-29-25(27)20-21-26(28)30-23-16-18-24(31-2)19-17-23/h16-19H,3-15,20-22H2,1-2H3
- InChI Key
- ZTXAYFAONZHYFP-UHFFFAOYSA-N
- Formula
- C26H42O4S
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCC(=O)Oc
1ccc(SC)cc1 - Molecular Weight1
- 450.67
- 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° | -163.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.51 | Crippen Calculated Property | |
| logPoct/wat | 7.729 | Crippen Calculated Property | |
| McVol | 384.670 | ml/mol | McGowan Calculated Property |
| Pc | 924.43 | kPa | Joback Calculated Property |
| Inp | [3408.00; 3408.00] |
|
|
| Inp | 3408.00 | NIST | |
| Inp | 3408.00 | NIST | |
| Tboil | 1047.30 | K | Joback Calculated Property |
| Tc | 1283.70 | K | Joback Calculated Property |
| Tfus | 600.44 | K | Joback Calculated Property |
| Vc | 1.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1301.49; 1366.44] | J/mol×K | [1047.30; 1283.70] |
|
| Cp,gas | 1301.49 | J/mol×K | 1047.30 | Joback Calculated Property |
| Cp,gas | 1316.70 | J/mol×K | 1086.70 | Joback Calculated Property |
| Cp,gas | 1330.08 | J/mol×K | 1126.10 | Joback Calculated Property |
| Cp,gas | 1341.70 | J/mol×K | 1165.50 | Joback Calculated Property |
| Cp,gas | 1351.59 | J/mol×K | 1204.90 | Joback Calculated Property |
| Cp,gas | 1359.82 | J/mol×K | 1244.30 | Joback Calculated Property |
| Cp,gas | 1366.44 | J/mol×K | 1283.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-methylthiophenyl pentadecyl ester.
Sources
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