- InChI
- InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2
- InChI Key
- URUUZIAJVSGYRC-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- O=C1CCCOC1
- Molecular Weight1
- 100.12
- CAS
- 23462-75-1
- Other Names
-
- Dihydro-2H-pyran-3(4H)-one
- Tetrahydropyran-3-one
- 3-Tetrahydropyranone
- 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).
- 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 | 0.3516 | Relay (1.0) Calculated Property | |
| ΔfG° | -185.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.366 | Crippen Calculated Property | |
| McVol | 77.890 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| I | [1439.00; 1439.00] |
|
|
| I | 1439.00 | NIST | |
| I | 1439.00 | NIST | |
| Tboil | 435.51 | K | Relay (1.0) Calculated Property |
| Tc | 660.55 | K | Relay (1.0) Calculated Property |
| Tfus | 286.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.262 | m3/kmol | Relay (1.0) 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 2H-Pyran-3(4H)-one, dihydro-.
Sources
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