- InChI
- InChI=1S/C28H46O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-31-27(29)22-23-28(30)32-25-18-20-26(33-2)21-19-25/h18-21H,3-17,22-24H2,1-2H3
- InChI Key
- OLTAASJSVOGYAO-UHFFFAOYSA-N
- Formula
- C28H46O4S
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCC(=O)
Oc1ccc(SC)cc1 - 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° | -147.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.99 | kJ/mol | Joback Calculated Property |
| log10WS | -9.34 | Crippen Calculated Property | |
| logPoct/wat | 8.509 | Crippen Calculated Property | |
| McVol | 412.850 | ml/mol | McGowan Calculated Property |
| Pc | 825.26 | kPa | Joback Calculated Property |
| Inp | [3610.00; 3610.00] |
|
|
| Inp | 3610.00 | NIST | |
| Inp | 3610.00 | NIST | |
| Tboil | 1093.06 | K | Joback Calculated Property |
| Tc | 1346.01 | K | Joback Calculated Property |
| Tfus | 622.98 | K | Joback Calculated Property |
| Vc | 1.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1425.94; 1488.59] | J/mol×K | [1093.06; 1346.01] |
|
| Cp,gas | 1425.94 | J/mol×K | 1093.06 | Joback Calculated Property |
| Cp,gas | 1441.41 | J/mol×K | 1135.22 | Joback Calculated Property |
| Cp,gas | 1454.77 | J/mol×K | 1177.38 | Joback Calculated Property |
| Cp,gas | 1466.09 | J/mol×K | 1219.54 | Joback Calculated Property |
| Cp,gas | 1475.45 | J/mol×K | 1261.69 | Joback Calculated Property |
| Cp,gas | 1482.92 | J/mol×K | 1303.85 | Joback Calculated Property |
| Cp,gas | 1488.59 | J/mol×K | 1346.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, heptadecyl 4-methylthiophenyl ester.
Sources
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