- InChI
- InChI=1S/C22H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20-25-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3
- InChI Key
- CSISNRHHVYWFNT-UHFFFAOYSA-N
- Formula
- C22H36O2S
- SMILES
- CCCCCCCCCCCCCCOC(=O)CSc1ccccc1
- Molecular Weight1
- 364.58
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9578 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.023 | Crippen Calculated Property | |
| McVol | 320.870 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | 2712.00 | NIST | |
| Tboil | 665.45 | K | Relay (1.0) Calculated Property |
| Tc | 860.06 | K | Relay (1.0) Calculated Property |
| Tfus | 315.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1011.35; 1099.04] | J/mol×K | [874.51; 1079.49] | 
|
| Cp,gas | 1011.35 | J/mol×K | 874.51 | Joback Calculated Property |
| Cp,gas | 1028.92 | J/mol×K | 908.67 | Joback Calculated Property |
| Cp,gas | 1045.24 | J/mol×K | 942.84 | Joback Calculated Property |
| Cp,gas | 1060.38 | J/mol×K | 977.00 | Joback Calculated Property |
| Cp,gas | 1074.36 | J/mol×K | 1011.16 | Joback Calculated Property |
| Cp,gas | 1087.23 | J/mol×K | 1045.33 | Joback Calculated Property |
| Cp,gas | 1099.04 | J/mol×K | 1079.49 | Joback Calculated Property |
Similar Compounds
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Sources
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