- InChI
- InChI=1S/C17H24O4S/c1-3-4-5-6-13-20-16(18)11-12-17(19)21-14-7-9-15(22-2)10-8-14/h7-10H,3-6,11-13H2,1-2H3
- InChI Key
- XOGWYJSAKKRQAF-UHFFFAOYSA-N
- Formula
- C17H24O4S
- SMILES
-
CCCCCCOC(=O)CCC(=O)Oc1ccc(SC)c
c1 - Molecular Weight1
- 324.44
- 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° | -239.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -616.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 4.218 | Crippen Calculated Property | |
| McVol | 257.860 | ml/mol | McGowan Calculated Property |
| Pc | 1700.50 | kPa | Joback Calculated Property |
| Inp | [2498.00; 2498.00] |
|
|
| Inp | 2498.00 | NIST | |
| Inp | 2498.00 | NIST | |
| Tboil | 841.38 | K | Joback Calculated Property |
| Tc | 1055.08 | K | Joback Calculated Property |
| Tfus | 499.01 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.89; 829.96] | J/mol×K | [841.38; 1055.08] |
|
| Cp,gas | 761.89 | J/mol×K | 841.38 | Joback Calculated Property |
| Cp,gas | 776.18 | J/mol×K | 877.00 | Joback Calculated Property |
| Cp,gas | 789.28 | J/mol×K | 912.61 | Joback Calculated Property |
| Cp,gas | 801.20 | J/mol×K | 948.23 | Joback Calculated Property |
| Cp,gas | 811.95 | J/mol×K | 983.85 | Joback Calculated Property |
| Cp,gas | 821.53 | J/mol×K | 1019.46 | Joback Calculated Property |
| Cp,gas | 829.96 | J/mol×K | 1055.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hexyl 4-methylthiophenyl ester.
Sources
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