- InChI
- InChI=1S/C8H14OS/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3
- InChI Key
- PRSGGNQGDWGRPA-UHFFFAOYSA-N
- Formula
- C8H14OS
- SMILES
- CCCC1CCCC(=O)S1
- Molecular Weight1
- 158.26
- CAS
- 201991-53-9
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3603 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.599 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1344.00; 1344.00] |
|
|
| Inp | 1344.00 | NIST | |
| Inp | 1344.00 | NIST | |
| I | [2004.00; 2004.00] |
|
|
| I | 2004.00 | NIST | |
| I | 2004.00 | NIST | |
| Tboil | 519.61 | K | Relay (1.0) Calculated Property |
| Tc | 710.82 | K | Relay (1.0) Calculated Property |
| Tfus | 237.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.15; 383.12] | J/mol×K | [517.64; 751.76] |
|
| Cp,gas | 294.15 | J/mol×K | 517.64 | Joback Calculated Property |
| Cp,gas | 311.16 | J/mol×K | 556.66 | Joback Calculated Property |
| Cp,gas | 327.30 | J/mol×K | 595.68 | Joback Calculated Property |
| Cp,gas | 342.57 | J/mol×K | 634.70 | Joback Calculated Property |
| Cp,gas | 356.97 | J/mol×K | 673.72 | Joback Calculated Property |
| Cp,gas | 370.48 | J/mol×K | 712.74 | Joback Calculated Property |
| Cp,gas | 383.12 | J/mol×K | 751.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Propyltetrahydro-2H-thiopyran-2-one.
Sources
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