- InChI
- InChI=1S/C8H8OS/c1-9-8-4-2-7(6-10)3-5-8/h2-6H,1H3
- InChI Key
- PSCGHQRKTJYCJO-UHFFFAOYSA-N
- Formula
- C8H8OS
- SMILES
- COc1ccc(C=S)cc1
- Molecular Weight1
- 152.21
- CAS
- 25332-53-0
- 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).
- 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° | 139.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 40.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.043 | Crippen Calculated Property | |
| McVol | 117.740 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Tboil | 506.68 | K | Joback Calculated Property |
| Tc | 741.53 | K | Joback Calculated Property |
| Tfus | 289.32 | K | Joback Calculated Property |
| Vc | 0.428 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.83; 284.61] | J/mol×K | [506.68; 741.53] | 
|
| Cp,gas | 228.83 | J/mol×K | 506.68 | Joback Calculated Property |
| Cp,gas | 239.91 | J/mol×K | 545.82 | Joback Calculated Property |
| Cp,gas | 250.21 | J/mol×K | 584.96 | Joback Calculated Property |
| Cp,gas | 259.78 | J/mol×K | 624.11 | Joback Calculated Property |
| Cp,gas | 268.67 | J/mol×K | 663.25 | Joback Calculated Property |
| Cp,gas | 276.93 | J/mol×K | 702.39 | Joback Calculated Property |
| Cp,gas | 284.61 | J/mol×K | 741.53 | Joback Calculated Property |
Similar Compounds
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Sources
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