- InChI
- InChI=1S/C12H16O2S/c1-2-3-9-14-12(13)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
- InChI Key
- MPGIAEVWEVYNKM-UHFFFAOYSA-N
- Formula
- C12H16O2S
- SMILES
- CCCCOC(=O)CSc1ccccc1
- Molecular Weight1
- 224.32
- 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° | -38.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 3.122 | Crippen Calculated Property | |
| McVol | 179.970 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | 1672.00 | NIST | |
| Tboil | 645.71 | K | Joback Calculated Property |
| Tc | 868.50 | K | Joback Calculated Property |
| Tfus | 357.98 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.90; 524.52] | J/mol×K | [645.71; 868.50] | 
|
| Cp,gas | 448.90 | J/mol×K | 645.71 | Joback Calculated Property |
| Cp,gas | 463.89 | J/mol×K | 682.84 | Joback Calculated Property |
| Cp,gas | 477.90 | J/mol×K | 719.97 | Joback Calculated Property |
| Cp,gas | 490.95 | J/mol×K | 757.11 | Joback Calculated Property |
| Cp,gas | 503.05 | J/mol×K | 794.24 | Joback Calculated Property |
| Cp,gas | 514.24 | J/mol×K | 831.37 | Joback Calculated Property |
| Cp,gas | 524.52 | J/mol×K | 868.50 | Joback Calculated Property |
Similar Compounds
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Sources
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