- InChI
- InChI=1S/C19H20O4S/c1-3-4-13-22-18(20)14-9-5-6-10-15(14)19(21)23-16-11-7-8-12-17(16)24-2/h5-12H,3-4,13H2,1-2H3
- InChI Key
- XOTASCIYCMDVMM-UHFFFAOYSA-N
- Formula
- C19H20O4S
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)Oc1cccc
c1SC - Molecular Weight1
- 344.43
- 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° | -120.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.80 | Crippen Calculated Property | |
| logPoct/wat | 4.585 | Crippen Calculated Property | |
| McVol | 262.280 | ml/mol | McGowan Calculated Property |
| Pc | 1888.72 | kPa | Joback Calculated Property |
| Inp | [2820.00; 2820.00] |
|
|
| Inp | 2820.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Tboil | 918.80 | K | Joback Calculated Property |
| Tc | 1158.19 | K | Joback Calculated Property |
| Tfus | 560.49 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.76; 826.34] | J/mol×K | [918.80; 1158.19] |
|
| Cp,gas | 774.76 | J/mol×K | 918.80 | Joback Calculated Property |
| Cp,gas | 786.97 | J/mol×K | 958.70 | Joback Calculated Property |
| Cp,gas | 797.70 | J/mol×K | 998.60 | Joback Calculated Property |
| Cp,gas | 806.98 | J/mol×K | 1038.50 | Joback Calculated Property |
| Cp,gas | 814.84 | J/mol×K | 1078.39 | Joback Calculated Property |
| Cp,gas | 821.28 | J/mol×K | 1118.29 | Joback Calculated Property |
| Cp,gas | 826.34 | J/mol×K | 1158.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl 2-(methylthio)phenyl ester.
Sources
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