- InChI
- InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
- InChI Key
- PTDVPWWJRCOIIO-UHFFFAOYSA-N
- Formula
- C8H10OS
- SMILES
- COc1ccc(CS)cc1
- Molecular Weight1
- 154.23
- CAS
- 6258-60-2
- Other Names
-
- p-Methoxy-«alpha»-toluenethiol
- Benzenemethanethiol, 4-methoxy-
- p-Methoxybenzyl mercaptan
- p-Methoxybenzylthiol
- 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° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.49 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 122.040 | ml/mol | McGowan Calculated Property |
| Pc | 3796.32 | kPa | Joback Calculated Property |
| Inp | 1359.90 | NIST | |
| Tboil | 499.38 | K | Joback Calculated Property |
| Tc | 733.05 | K | Joback Calculated Property |
| Tfus | 277.55 | K | Joback Calculated Property |
| Vc | 0.448 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.64; 308.29] | J/mol×K | [499.38; 733.05] | 
|
| Cp,gas | 243.64 | J/mol×K | 499.38 | Joback Calculated Property |
| Cp,gas | 256.12 | J/mol×K | 538.33 | Joback Calculated Property |
| Cp,gas | 267.90 | J/mol×K | 577.27 | Joback Calculated Property |
| Cp,gas | 278.99 | J/mol×K | 616.22 | Joback Calculated Property |
| Cp,gas | 289.41 | J/mol×K | 655.16 | Joback Calculated Property |
| Cp,gas | 299.18 | J/mol×K | 694.11 | Joback Calculated Property |
| Cp,gas | 308.29 | J/mol×K | 733.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxy-«alpha»-toluenethiol.
Sources
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