- InChI
- InChI=1S/C7H14S/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3
- InChI Key
- OPVQCLPKQYQDFG-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CC1(S)CCCCC1
- Molecular Weight1
- 130.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2799 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.639 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | 968.00 | NIST | |
| Tboil | 418.97 | K | Relay (1.0) Calculated Property |
| Tc | 646.94 | K | Relay (1.0) Calculated Property |
| Tfus | 237.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.394 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.86; 313.46] | J/mol×K | [442.21; 682.63] | 
|
| Cp,gas | 225.86 | J/mol×K | 442.21 | Joback Calculated Property |
| Cp,gas | 243.46 | J/mol×K | 482.28 | Joback Calculated Property |
| Cp,gas | 259.67 | J/mol×K | 522.35 | Joback Calculated Property |
| Cp,gas | 274.62 | J/mol×K | 562.42 | Joback Calculated Property |
| Cp,gas | 288.47 | J/mol×K | 602.49 | Joback Calculated Property |
| Cp,gas | 301.37 | J/mol×K | 642.56 | Joback Calculated Property |
| Cp,gas | 313.46 | J/mol×K | 682.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylcyclohexane-1-thiol.
Sources
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