- InChI
- InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3
- InChI Key
- QZLAEIZEPJAELS-UHFFFAOYSA-N
- Formula
- C8H18S
- SMILES
- CC(C)(C)CC(C)(C)S
- Molecular Weight1
- 146.30
- 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 | 0.3732 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.131 | Crippen Calculated Property | |
| McVol | 139.930 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Tboil | 418.61 | K | Relay (1.0) Calculated Property |
| Tc | 613.32 | K | Relay (1.0) Calculated Property |
| Tfus | 250.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.499 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.20; 375.08] | J/mol×K | [438.84; 650.15] | 
|
| Cp,gas | 289.20 | J/mol×K | 438.84 | Joback Calculated Property |
| Cp,gas | 306.07 | J/mol×K | 474.06 | Joback Calculated Property |
| Cp,gas | 321.84 | J/mol×K | 509.28 | Joback Calculated Property |
| Cp,gas | 336.56 | J/mol×K | 544.50 | Joback Calculated Property |
| Cp,gas | 350.30 | J/mol×K | 579.72 | Joback Calculated Property |
| Cp,gas | 363.12 | J/mol×K | 614.93 | Joback Calculated Property |
| Cp,gas | 375.08 | J/mol×K | 650.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4-trimethylpentane-2-thiol.
Sources
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