- InChI
- InChI=1S/C6H12S/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3
- InChI Key
- XJWBHFDHEOPYNK-UHFFFAOYSA-N
- Formula
- C6H12S
- SMILES
- CC1(S)CCCC1
- Molecular Weight1
- 116.22
- CAS
- 1638-95-5
- Other Names
-
- 1-Methylcyclopentanethiol
- 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 | 0.2850 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.249 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 4414.96 | kPa | Joback Calculated Property |
| Tboil | 410.75 ± 0.20 | K | NIST |
| Tc | 616.23 | K | Relay (1.0) Calculated Property |
| Tfus | 229.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.350 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.32; 262.27] | J/mol×K | [415.06; 649.06] | 
|
| Cp,gas | 186.32 | J/mol×K | 415.06 | Joback Calculated Property |
| Cp,gas | 201.81 | J/mol×K | 454.06 | Joback Calculated Property |
| Cp,gas | 215.98 | J/mol×K | 493.06 | Joback Calculated Property |
| Cp,gas | 228.97 | J/mol×K | 532.06 | Joback Calculated Property |
| Cp,gas | 240.91 | J/mol×K | 571.06 | Joback Calculated Property |
| Cp,gas | 251.97 | J/mol×K | 610.06 | Joback Calculated Property |
| Cp,gas | 262.27 | J/mol×K | 649.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanethiol, 1-methyl-.
Sources
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