- InChI
- InChI=1S/C14H18O2S/c15-14(16-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2
- InChI Key
- SIRIXPOWYMQWOJ-UHFFFAOYSA-N
- Formula
- C14H18O2S
- SMILES
- O=C(CSc1ccccc1)OC1CCCCC1
- Molecular Weight1
- 250.36
- 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° | 3.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.655 | Crippen Calculated Property | |
| McVol | 197.290 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | 1939.00 | NIST | |
| Tboil | 711.02 | K | Joback Calculated Property |
| Tc | 962.47 | K | Joback Calculated Property |
| Tfus | 387.90 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.14; 633.57] | J/mol×K | [711.02; 962.47] | 
|
| Cp,gas | 545.14 | J/mol×K | 711.02 | Joback Calculated Property |
| Cp,gas | 563.74 | J/mol×K | 752.93 | Joback Calculated Property |
| Cp,gas | 580.73 | J/mol×K | 794.84 | Joback Calculated Property |
| Cp,gas | 596.17 | J/mol×K | 836.75 | Joback Calculated Property |
| Cp,gas | 610.09 | J/mol×K | 878.66 | Joback Calculated Property |
| Cp,gas | 622.54 | J/mol×K | 920.57 | Joback Calculated Property |
| Cp,gas | 633.57 | J/mol×K | 962.47 | Joback Calculated Property |
Similar Compounds
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Sources
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