- InChI
- InChI=1S/C16H24O2S/c1-2-3-4-5-6-10-13-18-16(17)14-19-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
- InChI Key
- QGVZNJTVKALZLR-UHFFFAOYSA-N
- Formula
- C16H24O2S
- SMILES
- CCCCCCCCOC(=O)CSc1ccccc1
- Molecular Weight1
- 280.43
- 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° | -4.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.682 | Crippen Calculated Property | |
| McVol | 236.330 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | 1958.00 | NIST | |
| Tboil | 737.23 | K | Joback Calculated Property |
| Tc | 946.74 | K | Joback Calculated Property |
| Tfus | 403.06 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.40; 744.82] | J/mol×K | [737.23; 946.74] | 
|
| Cp,gas | 661.40 | J/mol×K | 737.23 | Joback Calculated Property |
| Cp,gas | 677.92 | J/mol×K | 772.15 | Joback Calculated Property |
| Cp,gas | 693.36 | J/mol×K | 807.07 | Joback Calculated Property |
| Cp,gas | 707.74 | J/mol×K | 841.99 | Joback Calculated Property |
| Cp,gas | 721.09 | J/mol×K | 876.90 | Joback Calculated Property |
| Cp,gas | 733.44 | J/mol×K | 911.82 | Joback Calculated Property |
| Cp,gas | 744.82 | J/mol×K | 946.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, octyl ester.
Sources
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