- InChI
- InChI=1S/C18H26O4S/c1-3-4-5-6-7-14-21-17(19)12-13-18(20)22-15-8-10-16(23-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3
- InChI Key
- FKSHSXZNNSVWHK-UHFFFAOYSA-N
- Formula
- C18H26O4S
- SMILES
-
CCCCCCCOC(=O)CCC(=O)Oc1ccc(SC)
cc1 - 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° | -231.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 4.608 | Crippen Calculated Property | |
| McVol | 271.950 | ml/mol | McGowan Calculated Property |
| Pc | 1573.45 | kPa | Joback Calculated Property |
| Inp | [2600.00; 2600.00] |
|
|
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Tboil | 864.26 | K | Joback Calculated Property |
| Tc | 1077.15 | K | Joback Calculated Property |
| Tfus | 510.28 | K | Joback Calculated Property |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [819.46; 887.79] | J/mol×K | [864.26; 1077.15] |
|
| Cp,gas | 819.46 | J/mol×K | 864.26 | Joback Calculated Property |
| Cp,gas | 833.88 | J/mol×K | 899.74 | Joback Calculated Property |
| Cp,gas | 847.08 | J/mol×K | 935.22 | Joback Calculated Property |
| Cp,gas | 859.05 | J/mol×K | 970.70 | Joback Calculated Property |
| Cp,gas | 869.82 | J/mol×K | 1006.19 | Joback Calculated Property |
| Cp,gas | 879.39 | J/mol×K | 1041.67 | Joback Calculated Property |
| Cp,gas | 887.79 | J/mol×K | 1077.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, heptyl 4-methylthiophenyl ester.
Sources
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