- InChI
- InChI=1S/C11H16S/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
- InChI Key
- DUZJXKYBSMFDIU-UHFFFAOYSA-N
- Formula
- C11H16S
- SMILES
- Cc1cc(C(C)(C)C)ccc1S
- Molecular Weight1
- 180.31
- CAS
- 15570-10-2
- Other Names
-
- o-Toluenethiol, 4-tert-butyl-
- 4-tert-Butyl-o-Thiocresol
- 4-tert-Butyl-2-Methylthiophenol
- 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° | 167.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 158.440 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Tboil | 547.35 | K | Joback Calculated Property |
| Tc | 787.39 | K | Joback Calculated Property |
| Tfus | 304.07 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.43; 440.15] | J/mol×K | [547.35; 787.39] | 
|
| Cp,gas | 356.43 | J/mol×K | 547.35 | Joback Calculated Property |
| Cp,gas | 373.05 | J/mol×K | 587.36 | Joback Calculated Property |
| Cp,gas | 388.52 | J/mol×K | 627.36 | Joback Calculated Property |
| Cp,gas | 402.90 | J/mol×K | 667.37 | Joback Calculated Property |
| Cp,gas | 416.25 | J/mol×K | 707.38 | Joback Calculated Property |
| Cp,gas | 428.64 | J/mol×K | 747.38 | Joback Calculated Property |
| Cp,gas | 440.15 | J/mol×K | 787.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenethiol, 4-(1,1-dimethylethyl)-2-methyl-.
Sources
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