- InChI
- InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
- InChI Key
- QOTQFLOTGBBMEX-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- CC1=CCC(=O)O1
- Molecular Weight1
- 98.10
- CAS
- 591-12-8
- Other Names
-
- 2,3-Dihydro-5-methyl-2-furanone
- 2,3-Dihydro-5-methylfuran-2-one
- 2-Oxo-5-methyl-2,3-dihydrofuran
- 3-Pentenoic acid, 4-hydroxy-, «gamma»-lactone
- 4-Hydroxy-3-pentenoic acid «gamma»-lactone
- 4-Hydroxypent-3-enoic acid lactone
- 5-Methyl-2(3H)-furanone («alpha»-angelicalactone)
- 5-methyl-2(3H)-furanone
- 5-methylfuran-2(3H)-one
- Angelica lactone
- NSC 654
- Penten-3-oic acid, 4-hydroxy-, «gamma»-lactone
- «alpha»-Angelica lactone
- «beta»,«gamma»-Angelica lactone
- «delta»2-Angelica lactone
- «gamma»-Methyl-«beta»,«gamma»-crotonolactone
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- 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 | 0.3428 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 ± 0.05 | eV | NIST |
| log10WS | -0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.837 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Pc | 4835.95 | kPa | Joback Calculated Property |
| Inp | [830.10; 901.00] |
|
|
| Inp | 835.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 830.10 | NIST | |
| Inp | 830.10 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 830.10 | NIST | |
| I | [1390.00; 1430.00] |
|
|
| I | 1416.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1429.00 | NIST | |
| I | Outlier 1390.00 | NIST | |
| I | 1430.00 | NIST | |
| I | 1430.00 | NIST | |
| I | 1430.00 | NIST | |
| Tboil | 442.86 | K | Relay (1.0) Calculated Property |
| Tc | 643.12 | K | Relay (1.0) Calculated Property |
| Tfus | 284.08 | 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 | [139.67; 190.05] | J/mol×K | [432.66; 656.90] |
|
| Cp,gas | 139.67 | J/mol×K | 432.66 | Joback Calculated Property |
| Cp,gas | 149.00 | J/mol×K | 470.03 | Joback Calculated Property |
| Cp,gas | 157.97 | J/mol×K | 507.41 | Joback Calculated Property |
| Cp,gas | 166.57 | J/mol×K | 544.78 | Joback Calculated Property |
| Cp,gas | 174.79 | J/mol×K | 582.15 | Joback Calculated Property |
| Cp,gas | 182.62 | J/mol×K | 619.53 | Joback Calculated Property |
| Cp,gas | 190.05 | J/mol×K | 656.90 | Joback Calculated Property |
| ΔvapH | 40.30 | kJ/mol | 383.00 | NIST |
| ρl | [1061.58; 1099.32] | kg/m3 | [288.15; 323.15] |
|
| ρl | 1099.32 | kg/m3 | 288.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1093.94 | kg/m3 | 293.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1088.55 | kg/m3 | 298.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1083.16 | kg/m3 | 303.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1077.77 | kg/m3 | 308.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1072.38 | kg/m3 | 313.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1066.98 | kg/m3 | 318.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
| ρl | 1061.58 | kg/m3 | 323.15 | Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [329.00; 329.20] | K | [1.60; 1.60] |
|
| Tboilr | 329.20 | K | 1.60 | NIST |
| Tboilr | 329.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-methyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
- Joback Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.