- InChI
- InChI=1S/C13H16O4S/c1-3-16-12(14)8-9-13(15)17-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3
- InChI Key
- TYJIAACQOQHVNH-UHFFFAOYSA-N
- Formula
- C13H16O4S
- SMILES
- CCOC(=O)CCC(=O)Oc1ccc(SC)cc1
- Molecular Weight1
- 268.33
- 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° | -273.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.657 | Crippen Calculated Property | |
| McVol | 201.500 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Inp | [2103.00; 2103.00] |
|
|
| Inp | 2103.00 | NIST | |
| Inp | 2103.00 | NIST | |
| Tboil | 749.86 | K | Joback Calculated Property |
| Tc | 972.95 | K | Joback Calculated Property |
| Tfus | 453.93 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.61; 604.84] | J/mol×K | [749.86; 972.95] |
|
| Cp,gas | 540.61 | J/mol×K | 749.86 | Joback Calculated Property |
| Cp,gas | 553.91 | J/mol×K | 787.04 | Joback Calculated Property |
| Cp,gas | 566.18 | J/mol×K | 824.22 | Joback Calculated Property |
| Cp,gas | 577.42 | J/mol×K | 861.40 | Joback Calculated Property |
| Cp,gas | 587.60 | J/mol×K | 898.58 | Joback Calculated Property |
| Cp,gas | 596.75 | J/mol×K | 935.77 | Joback Calculated Property |
| Cp,gas | 604.84 | J/mol×K | 972.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 4-methylthiophenyl ester.
Sources
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