- InChI
- InChI=1S/C10H18OS/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
- InChI Key
- PXRUYLRRFJEVKM-UHFFFAOYSA-N
- Formula
- C10H18OS
- SMILES
- CCCCCC1CCCC(=O)S1
- Molecular Weight1
- 186.31
- 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° | -24.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 3.379 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | 1565.00 | NIST | |
| I | 2233.00 | NIST | |
| Tboil | 563.40 | K | Joback Calculated Property |
| Tc | 788.84 | K | Joback Calculated Property |
| Tfus | 361.51 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.96; 486.35] | J/mol×K | [563.40; 788.84] | 
|
| Cp,gas | 388.96 | J/mol×K | 563.40 | Joback Calculated Property |
| Cp,gas | 407.66 | J/mol×K | 600.97 | Joback Calculated Property |
| Cp,gas | 425.37 | J/mol×K | 638.55 | Joback Calculated Property |
| Cp,gas | 442.09 | J/mol×K | 676.12 | Joback Calculated Property |
| Cp,gas | 457.82 | J/mol×K | 713.69 | Joback Calculated Property |
| Cp,gas | 472.57 | J/mol×K | 751.27 | Joback Calculated Property |
| Cp,gas | 486.35 | J/mol×K | 788.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-pentyltetrahydro-2H-thiopyran-2-one.
Sources
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