- InChI
- InChI=1S/C10H14S/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
- InChI Key
- IGKRCEMLHDKLEE-UHFFFAOYSA-N
- Formula
- C10H14S
- SMILES
- CSc1ccc(C(C)C)cc1
- Molecular Weight1
- 166.28
- 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° | 166.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 3.532 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Inp | [1371.70; 1371.70] |
|
|
| Inp | 1371.70 | NIST | |
| Inp | 1371.70 | NIST | |
| Tboil | 528.20 | K | Joback Calculated Property |
| Tc | 761.14 | K | Joback Calculated Property |
| Tfus | 260.80 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.01; 389.25] | J/mol×K | [528.20; 761.14] |
|
| Cp,gas | 310.01 | J/mol×K | 528.20 | Joback Calculated Property |
| Cp,gas | 325.47 | J/mol×K | 567.02 | Joback Calculated Property |
| Cp,gas | 339.98 | J/mol×K | 605.85 | Joback Calculated Property |
| Cp,gas | 353.59 | J/mol×K | 644.67 | Joback Calculated Property |
| Cp,gas | 366.32 | J/mol×K | 683.50 | Joback Calculated Property |
| Cp,gas | 378.20 | J/mol×K | 722.32 | Joback Calculated Property |
| Cp,gas | 389.25 | J/mol×K | 761.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropylbenzenethiol, S-methyl-.
Sources
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