- InChI
- InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
- InChI Key
- RVOKNSFEAOYULQ-UHFFFAOYSA-N
- Formula
- C10H18OS
- SMILES
- CC1CCC(C(C)(C)S)C(=O)C1
- Molecular Weight1
- 186.31
- CAS
- 33281-91-3
- Other Names
-
- p-Menthon-8-thiol, trans
- 5-Methyl-2-(1-methyl-1-sulfanylethyl)cyclohexanone, trans
- p-Menthan-3-one, 8-mercapto, trans
- trans-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one
- Trans-8-mercapto-3-Methanone
- 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).
- I : 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 | 0.4045 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.700 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| I | 1859.00 | NIST | |
| Tboil | 515.12 | K | Relay (1.0) Calculated Property |
| Tc | 745.61 | K | Relay (1.0) Calculated Property |
| Tfus | 351.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.58; 505.09] | J/mol×K | [570.53; 819.75] | 
|
| Cp,gas | 399.58 | J/mol×K | 570.53 | Joback Calculated Property |
| Cp,gas | 420.51 | J/mol×K | 612.07 | Joback Calculated Property |
| Cp,gas | 440.08 | J/mol×K | 653.60 | Joback Calculated Property |
| Cp,gas | 458.30 | J/mol×K | 695.14 | Joback Calculated Property |
| Cp,gas | 475.19 | J/mol×K | 736.68 | Joback Calculated Property |
| Cp,gas | 490.78 | J/mol×K | 778.21 | Joback Calculated Property |
| Cp,gas | 505.09 | J/mol×K | 819.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, trans-.
Sources
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