- InChI
- InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
- InChI Key
- JMJRYTGVHCAYCT-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- O=C1CCOCC1
- Molecular Weight1
- 100.12
- CAS
- 29943-42-8
- Other Names
-
- Tetrahydro-«gamma»-pyrone
- Tetrahydro-4-pyrone
- Tetrahydro-4H-pyran-4-one
- 2,3,5,6-Tetrahydro-4-pyranone
- 4-Oxacyclohexanone
- 4-Oxotetrahydropyran
- 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).
- 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° | -185.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.70 ± 0.30 | kJ/mol | NIST |
| log10WS | -0.18 | Crippen Calculated Property | |
| logPoct/wat | 0.366 | Crippen Calculated Property | |
| McVol | 77.890 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| Tboil | 439.70 | K | NIST |
| Tc | 662.42 | K | Joback Calculated Property |
| Tfus | 252.52 | K | Joback Calculated Property |
| Vc | 0.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.33; 216.74] | J/mol×K | [432.79; 662.42] | 
|
| Cp,gas | 151.33 | J/mol×K | 432.79 | Joback Calculated Property |
| Cp,gas | 163.57 | J/mol×K | 471.06 | Joback Calculated Property |
| Cp,gas | 175.28 | J/mol×K | 509.33 | Joback Calculated Property |
| Cp,gas | 186.47 | J/mol×K | 547.60 | Joback Calculated Property |
| Cp,gas | 197.12 | J/mol×K | 585.88 | Joback Calculated Property |
| Cp,gas | 207.21 | J/mol×K | 624.15 | Joback Calculated Property |
| Cp,gas | 216.74 | J/mol×K | 662.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4H-Pyran-4-one, tetrahydro-.
Sources
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