- InChI
- InChI=1S/C27H44O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-26(28)21-22-27(29)31-24-17-19-25(32-2)20-18-24/h17-20H,3-16,21-23H2,1-2H3
- InChI Key
- PRJIXIKNYXIIGX-UHFFFAOYSA-N
- Formula
- C27H44O4S
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCC(=O)O
c1ccc(SC)cc1 - 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° | -155.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.76 | kJ/mol | Joback Calculated Property |
| log10WS | -8.93 | Crippen Calculated Property | |
| logPoct/wat | 8.119 | Crippen Calculated Property | |
| McVol | 398.760 | ml/mol | McGowan Calculated Property |
| Pc | 872.74 | kPa | Joback Calculated Property |
| Inp | [3507.00; 3507.00] |
|
|
| Inp | 3507.00 | NIST | |
| Inp | 3507.00 | NIST | |
| Tboil | 1070.18 | K | Joback Calculated Property |
| Tc | 1314.21 | K | Joback Calculated Property |
| Tfus | 611.71 | K | Joback Calculated Property |
| Vc | 1.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1363.59; 1427.48] | J/mol×K | [1070.18; 1314.21] |
|
| Cp,gas | 1363.59 | J/mol×K | 1070.18 | Joback Calculated Property |
| Cp,gas | 1378.92 | J/mol×K | 1110.85 | Joback Calculated Property |
| Cp,gas | 1392.30 | J/mol×K | 1151.52 | Joback Calculated Property |
| Cp,gas | 1403.78 | J/mol×K | 1192.19 | Joback Calculated Property |
| Cp,gas | 1413.43 | J/mol×K | 1232.86 | Joback Calculated Property |
| Cp,gas | 1421.31 | J/mol×K | 1273.54 | Joback Calculated Property |
| Cp,gas | 1427.48 | J/mol×K | 1314.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hexadecyl 4-methylthiophenyl ester.
Sources
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