- InChI
- InChI=1S/C8H14OS/c1-2-4-7-5-3-6-8(10)9-7/h7H,2-6H2,1H3
- InChI Key
- AWKFNEOVOOFWMP-UHFFFAOYSA-N
- Formula
- C8H14OS
- SMILES
- CCCC1CCCC(=S)O1
- Molecular Weight1
- 158.26
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 45.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.683 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | 1389.00 | NIST | |
| I | 2172.00 | NIST | |
| Tboil | 501.58 | K | Joback Calculated Property |
| Tc | 724.18 | K | Joback Calculated Property |
| Tfus | 277.54 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.65; 365.55] | J/mol×K | [501.58; 724.18] | 
|
| Cp,gas | 286.65 | J/mol×K | 501.58 | Joback Calculated Property |
| Cp,gas | 302.01 | J/mol×K | 538.68 | Joback Calculated Property |
| Cp,gas | 316.42 | J/mol×K | 575.78 | Joback Calculated Property |
| Cp,gas | 329.93 | J/mol×K | 612.88 | Joback Calculated Property |
| Cp,gas | 342.60 | J/mol×K | 649.98 | Joback Calculated Property |
| Cp,gas | 354.46 | J/mol×K | 687.08 | Joback Calculated Property |
| Cp,gas | 365.55 | J/mol×K | 724.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-propyl-tetrahydropyran-2-thione.
Sources
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