- InChI
- InChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H2
- InChI Key
- ATAMXDLUUTYFKT-UHFFFAOYSA-N
- Formula
- C5H8OS
- SMILES
- O=C1CCCSC1
- Molecular Weight1
- 116.18
- CAS
- 19090-03-0
- Other Names
-
- Dihydro-2H-thiopyran-3(4H)-one
- Tetrahydrothiopyran-3-one
- 1-Thiacyclohexan-3-one
- 3-Oxotetrahydrothiopyran
- 3-Thiacyclohexanone
- 5,6-Dihydro-2(H)-thiopyran-3(4H)-one
- Tetrahydrothia-3-pyranone
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3531.00 ± 2.50 | kJ/mol | NIST |
| ΔfG° | -59.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.00 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 2.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.30 ± 0.10 | kJ/mol | NIST |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 1.083 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| I | 1541.00 | NIST | |
| Tboil | 453.67 | K | Joback Calculated Property |
| Tc | 701.30 | K | Joback Calculated Property |
| Tfus | 309.40 | K | Joback Calculated Property |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.39; 232.53] | J/mol×K | [453.67; 701.30] | 
|
| Cp,gas | 165.39 | J/mol×K | 453.67 | Joback Calculated Property |
| Cp,gas | 178.19 | J/mol×K | 494.94 | Joback Calculated Property |
| Cp,gas | 190.36 | J/mol×K | 536.21 | Joback Calculated Property |
| Cp,gas | 201.88 | J/mol×K | 577.49 | Joback Calculated Property |
| Cp,gas | 212.76 | J/mol×K | 618.76 | Joback Calculated Property |
| Cp,gas | 222.98 | J/mol×K | 660.03 | Joback Calculated Property |
| Cp,gas | 232.53 | J/mol×K | 701.30 | Joback Calculated Property |
Similar Compounds
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Sources
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