- InChI
- InChI=1S/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
- InChI Key
- AGFYZLVFPSGUIX-UHFFFAOYSA-N
- Formula
- C8H10S
- SMILES
- Cc1ccc(CS)cc1
- Molecular Weight1
- 138.23
- CAS
- 4498-99-1
- Other Names
-
- p-Xylene-alpha-thiol
- p-xylene-«alpha»-thiol
- 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° | 148.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 55.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.425 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Pc | 3877.12 | kPa | Joback Calculated Property |
| Tboil | 476.96 | K | Joback Calculated Property |
| Tc | 713.39 | K | Joback Calculated Property |
| Tfus | 255.32 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.48; 286.76] | J/mol×K | [476.96; 713.39] | 
|
| Cp,gas | 221.48 | J/mol×K | 476.96 | Joback Calculated Property |
| Cp,gas | 234.25 | J/mol×K | 516.37 | Joback Calculated Property |
| Cp,gas | 246.23 | J/mol×K | 555.77 | Joback Calculated Property |
| Cp,gas | 257.43 | J/mol×K | 595.18 | Joback Calculated Property |
| Cp,gas | 267.90 | J/mol×K | 634.58 | Joback Calculated Property |
| Cp,gas | 277.66 | J/mol×K | 673.99 | Joback Calculated Property |
| Cp,gas | 286.76 | J/mol×K | 713.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanethiol, 4-methyl-.
Sources
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