- InChI
- InChI=1S/C7H14S/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
- InChI Key
- PWHHTYJQSMSOEC-RNFRBKRXSA-N
- Formula
- C7H14S
- SMILES
- CC1CCCC(S)C1
- Molecular Weight1
- 130.25
- 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° | 54.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.495 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Inp | 984.00 | NIST | |
| Tboil | 437.30 | K | Joback Calculated Property |
| Tc | 666.53 | K | Joback Calculated Property |
| Tfus | 208.25 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.46; 317.03] | J/mol×K | [437.30; 666.53] | 
|
| Cp,gas | 225.46 | J/mol×K | 437.30 | Joback Calculated Property |
| Cp,gas | 243.00 | J/mol×K | 475.50 | Joback Calculated Property |
| Cp,gas | 259.60 | J/mol×K | 513.71 | Joback Calculated Property |
| Cp,gas | 275.28 | J/mol×K | 551.91 | Joback Calculated Property |
| Cp,gas | 290.07 | J/mol×K | 590.12 | Joback Calculated Property |
| Cp,gas | 303.98 | J/mol×K | 628.32 | Joback Calculated Property |
| Cp,gas | 317.03 | J/mol×K | 666.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Methylcyclohexane-1-thiol.
Sources
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