- InChI
- InChI=1S/C17H26O2S/c1-5-13(3)11-19-17(18)15-7-9-16(10-8-15)20-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
- InChI Key
- GPFYRTUGBAHRJN-UHFFFAOYSA-N
- Formula
- C17H26O2S
- SMILES
-
CCC(C)COC(=O)c1ccc(SCC(C)CC)cc
1 - 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° | -10.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 5.028 | Crippen Calculated Property | |
| McVol | 250.420 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | 2247.00 | NIST | |
| Tboil | 764.21 | K | Joback Calculated Property |
| Tc | 978.68 | K | Joback Calculated Property |
| Tfus | 396.85 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [717.88; 803.63] | J/mol×K | [764.21; 978.68] | 
|
| Cp,gas | 717.88 | J/mol×K | 764.21 | Joback Calculated Property |
| Cp,gas | 735.04 | J/mol×K | 799.95 | Joback Calculated Property |
| Cp,gas | 751.02 | J/mol×K | 835.70 | Joback Calculated Property |
| Cp,gas | 765.84 | J/mol×K | 871.44 | Joback Calculated Property |
| Cp,gas | 779.53 | J/mol×K | 907.19 | Joback Calculated Property |
| Cp,gas | 792.12 | J/mol×K | 942.93 | Joback Calculated Property |
| Cp,gas | 803.63 | J/mol×K | 978.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(2-methylbutyl)thio-, 2-methylbutyl ester.
Sources
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