- InChI
- InChI=1S/C11H14O2S/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
- InChI Key
- PGNCCKPNZYBMHV-UHFFFAOYSA-N
- Formula
- C11H14O2S
- SMILES
- CCCOC(=O)CSc1ccccc1
- Molecular Weight1
- 210.29
- 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° | -46.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.732 | Crippen Calculated Property | |
| McVol | 165.880 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | [1567.00; 1567.00] |
|
|
| Inp | 1567.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Tboil | 622.83 | K | Joback Calculated Property |
| Tc | 849.84 | K | Joback Calculated Property |
| Tfus | 346.71 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.14; 471.62] | J/mol×K | [622.83; 849.84] |
|
| Cp,gas | 399.14 | J/mol×K | 622.83 | Joback Calculated Property |
| Cp,gas | 413.52 | J/mol×K | 660.66 | Joback Calculated Property |
| Cp,gas | 426.96 | J/mol×K | 698.50 | Joback Calculated Property |
| Cp,gas | 439.47 | J/mol×K | 736.33 | Joback Calculated Property |
| Cp,gas | 451.07 | J/mol×K | 774.17 | Joback Calculated Property |
| Cp,gas | 461.78 | J/mol×K | 812.00 | Joback Calculated Property |
| Cp,gas | 471.62 | J/mol×K | 849.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, propyl ester.
Sources
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