- InChI
- InChI=1S/C17H26O2S/c1-2-3-4-5-6-7-11-14-19-17(18)15-20-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
- InChI Key
- UVWUXWMBLPVCSX-UHFFFAOYSA-N
- Formula
- C17H26O2S
- SMILES
- CCCCCCCCCOC(=O)CSc1ccccc1
- Molecular Weight1
- 294.45
- 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° | 3.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 5.073 | Crippen Calculated Property | |
| McVol | 250.420 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | 2190.00 | NIST | |
| Tboil | 760.11 | K | Joback Calculated Property |
| Tc | 967.40 | K | Joback Calculated Property |
| Tfus | 414.33 | K | Joback Calculated Property |
| Vc | 0.958 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.45; 801.96] | J/mol×K | [760.11; 967.40] | 
|
| Cp,gas | 717.45 | J/mol×K | 760.11 | Joback Calculated Property |
| Cp,gas | 734.20 | J/mol×K | 794.66 | Joback Calculated Property |
| Cp,gas | 749.84 | J/mol×K | 829.21 | Joback Calculated Property |
| Cp,gas | 764.41 | J/mol×K | 863.76 | Joback Calculated Property |
| Cp,gas | 777.93 | J/mol×K | 898.30 | Joback Calculated Property |
| Cp,gas | 790.44 | J/mol×K | 932.85 | Joback Calculated Property |
| Cp,gas | 801.96 | J/mol×K | 967.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, nonyl ester.
Sources
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