- InChI
- InChI=1S/C10H14S/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
- InChI Key
- BKMGLHQPYYCKPO-UHFFFAOYSA-N
- Formula
- C10H14S
- SMILES
- CC(C)(C)c1ccccc1S
- Molecular Weight1
- 166.28
- CAS
- 19728-41-7
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3410 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.273 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 502.75 | K | Relay (1.0) Calculated Property |
| Tc | 721.08 | K | Relay (1.0) Calculated Property |
| Tfus | 261.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.71; 391.22] | J/mol×K | [519.49; 763.23] | 
|
| Cp,gas | 310.71 | J/mol×K | 519.49 | Joback Calculated Property |
| Cp,gas | 326.90 | J/mol×K | 560.11 | Joback Calculated Property |
| Cp,gas | 341.88 | J/mol×K | 600.74 | Joback Calculated Property |
| Cp,gas | 355.73 | J/mol×K | 641.36 | Joback Calculated Property |
| Cp,gas | 368.52 | J/mol×K | 681.98 | Joback Calculated Property |
| Cp,gas | 380.32 | J/mol×K | 722.61 | Joback Calculated Property |
| Cp,gas | 391.22 | J/mol×K | 763.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-tert-Butylthiophenol.
Sources
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