- InChI
- InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
- InChI Key
- QBDAFARLDLCWAT-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- O=C1C=CCCO1
- Molecular Weight1
- 98.10
- CAS
- 3393-45-1
- Other Names
-
- 5,6-Dihydro-2H-pyran-2-one
- 2-Pentenoic acid, 5-hydroxy-, «delta»-lactone
- 5,6-Dihydro-2-pyranone
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3166 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.489 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Pc | 5116.65 | kPa | Joback Calculated Property |
| I | [1838.00; 1838.00] |
|
|
| I | 1838.00 | NIST | |
| I | 1838.00 | NIST | |
| Tboil | 467.97 | K | Relay (1.0) Calculated Property |
| Tc | 660.02 | K | Relay (1.0) Calculated Property |
| Tfus | 246.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.255 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.36; 194.57] | J/mol×K | [431.95; 664.11] |
|
| Cp,gas | 137.36 | J/mol×K | 431.95 | Joback Calculated Property |
| Cp,gas | 148.11 | J/mol×K | 470.64 | Joback Calculated Property |
| Cp,gas | 158.40 | J/mol×K | 509.34 | Joback Calculated Property |
| Cp,gas | 168.20 | J/mol×K | 548.03 | Joback Calculated Property |
| Cp,gas | 177.50 | J/mol×K | 586.72 | Joback Calculated Property |
| Cp,gas | 186.29 | J/mol×K | 625.41 | Joback Calculated Property |
| Cp,gas | 194.57 | J/mol×K | 664.11 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, 5,6-dihydro-.
Sources
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