- InChI
- InChI=1S/C7H14S/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
- InChI Key
- FWBXAOOHHILPSR-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- SCC1CCCCC1
- Molecular Weight1
- 130.25
- CAS
- 2550-37-0
- Other Names
-
- Cyclohexylmethanethiol
- Methanethiol, cyclohexyl-
- c-C6H11CH2SH
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 813.60 | kJ/mol | NIST |
| BasG | 782.40 | kJ/mol | NIST |
| ΔfG° | 61.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.497 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | 1028.00 | NIST | |
| Tboil | 441.97 | K | Joback Calculated Property |
| Tc | 671.52 | K | Joback Calculated Property |
| Tfus | 212.49 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.03; 314.07] | J/mol×K | [441.97; 671.52] | 
|
| Cp,gas | 225.03 | J/mol×K | 441.97 | Joback Calculated Property |
| Cp,gas | 242.23 | J/mol×K | 480.23 | Joback Calculated Property |
| Cp,gas | 258.44 | J/mol×K | 518.49 | Joback Calculated Property |
| Cp,gas | 273.70 | J/mol×K | 556.75 | Joback Calculated Property |
| Cp,gas | 288.04 | J/mol×K | 595.00 | Joback Calculated Property |
| Cp,gas | 301.49 | J/mol×K | 633.26 | Joback Calculated Property |
| Cp,gas | 314.07 | J/mol×K | 671.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanemethanethiol.
Sources
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