- InChI
- InChI=1S/C6H12S/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3
- InChI Key
- VLBGYQISAJHVAD-UHFFFAOYSA-N
- Formula
- C6H12S
- SMILES
- CC1CCCCS1
- Molecular Weight1
- 116.22
- CAS
- 5161-16-0
- Other Names
-
- 2-Methyltetrahydro-2H-thiopyrane
- 2-Methylthiane
- 2-methyl-thiacyclohexane
- Tetrahydro-2-methyl-2H-thiopyran
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2081 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -98.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.96 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.292 | Crippen Calculated Property | |
| McVol | 100.890 | ml/mol | McGowan Calculated Property |
| Pc | 3930.78 | kPa | Joback Calculated Property |
| Inp | [901.00; 924.00] |
|
|
| Inp | 924.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 924.00 | NIST | |
| Tboil | 421.90 | K | Relay (1.0) Calculated Property |
| Tc | 657.14 | K | Relay (1.0) Calculated Property |
| Tfus | 186.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.25; 260.13] | J/mol×K | [404.26; 626.60] |
|
| Cp,gas | 180.25 | J/mol×K | 404.26 | Joback Calculated Property |
| Cp,gas | 195.53 | J/mol×K | 441.32 | Joback Calculated Property |
| Cp,gas | 209.99 | J/mol×K | 478.37 | Joback Calculated Property |
| Cp,gas | 223.66 | J/mol×K | 515.43 | Joback Calculated Property |
| Cp,gas | 236.56 | J/mol×K | 552.49 | Joback Calculated Property |
| Cp,gas | 248.70 | J/mol×K | 589.55 | Joback Calculated Property |
| Cp,gas | 260.13 | J/mol×K | 626.60 | Joback Calculated Property |
| ΔvapH | [40.20; 42.10] | kJ/mol | [386.00; 397.00] |
|
| ΔvapH | 42.10 | kJ/mol | 386.00 | NIST |
| ΔvapH | 40.20 | kJ/mol | 397.00 | NIST |
Similar Compounds
Find more compounds similar to 2H-Thiopyran, tetrahydro-2-methyl-.
Sources
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