- InChI
- InChI=1S/C17H16O4S/c1-3-20-16(18)12-4-6-13(7-5-12)17(19)21-14-8-10-15(22-2)11-9-14/h4-11H,3H2,1-2H3
- InChI Key
- KGFOKTKZWMZWCM-UHFFFAOYSA-N
- Formula
- C17H16O4S
- SMILES
-
CCOC(=O)c1ccc(C(=O)Oc2ccc(SC)c
c2)cc1 - Molecular Weight1
- 316.37
- 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° | -136.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 3.804 | Crippen Calculated Property | |
| McVol | 234.100 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 873.04 | K | Joback Calculated Property |
| Tc | 1118.87 | K | Joback Calculated Property |
| Tfus | 537.95 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.94; 713.46] | J/mol×K | [873.04; 1118.87] |
|
| Cp,gas | 661.94 | J/mol×K | 873.04 | Joback Calculated Property |
| Cp,gas | 674.07 | J/mol×K | 914.01 | Joback Calculated Property |
| Cp,gas | 684.76 | J/mol×K | 954.98 | Joback Calculated Property |
| Cp,gas | 694.03 | J/mol×K | 995.96 | Joback Calculated Property |
| Cp,gas | 701.90 | J/mol×K | 1036.93 | Joback Calculated Property |
| Cp,gas | 708.37 | J/mol×K | 1077.90 | Joback Calculated Property |
| Cp,gas | 713.46 | J/mol×K | 1118.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, ethyl 4-methylthiophenyl ester.
Sources
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