- InChI
- InChI=1S/C6H10OS/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
- InChI Key
- DTKFCHDDHQHPAK-UHFFFAOYSA-N
- Formula
- C6H10OS
- SMILES
- CC1CCCC(=O)S1
- Molecular Weight1
- 130.21
- 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 | 0.2993 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.819 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [1124.00; 1124.00] |
|
|
| Inp | 1124.00 | NIST | |
| Inp | 1124.00 | NIST | |
| I | [1791.00; 1791.00] |
|
|
| I | 1791.00 | NIST | |
| I | 1791.00 | NIST | |
| Tboil | 479.79 | K | Relay (1.0) Calculated Property |
| Tc | 690.08 | K | Relay (1.0) Calculated Property |
| Tfus | 233.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.99; 284.10] | J/mol×K | [471.88; 714.89] |
|
| Cp,gas | 206.99 | J/mol×K | 471.88 | Joback Calculated Property |
| Cp,gas | 221.62 | J/mol×K | 512.38 | Joback Calculated Property |
| Cp,gas | 235.56 | J/mol×K | 552.88 | Joback Calculated Property |
| Cp,gas | 248.79 | J/mol×K | 593.39 | Joback Calculated Property |
| Cp,gas | 261.30 | J/mol×K | 633.89 | Joback Calculated Property |
| Cp,gas | 273.07 | J/mol×K | 674.39 | Joback Calculated Property |
| Cp,gas | 284.10 | J/mol×K | 714.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-methyltetrahydro-2H-thiopyran-2-one.
Sources
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