- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 10.97 | kJ/mol | Joback Calculated Property |
| IE | 9.62 ± 0.05 | eV | NIST |
| logPoct/wat | 0.837 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan 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 |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [98.26; 224.13] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.03500e+01 | |||
| Coefficient B | 4.85920e-01 | |||
| Coefficient C | -3.49440e-04 | |||
| Coefficient D | 9.80000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 122.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 142.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 175.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 188.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 199.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 209.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 217.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 224.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014834; 0.0003244] | Pa×s | [223.90; 407.31] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.88900e+00 | |||
| Coefficient B | 7.55790e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 223.90 | |||
| Temperature range, max. | 407.31 | |||
| η | 0.0014834 | Pa×s | 223.90 | Calculated Property |
| η | 0.0011193 | Pa×s | 244.28 | Calculated Property |
| η | 0.0008820 | Pa×s | 264.66 | Calculated Property |
| η | 0.0007191 | Pa×s | 285.04 | Calculated Property |
| η | 0.0006025 | Pa×s | 305.42 | Calculated Property |
| η | 0.0005161 | Pa×s | 325.79 | Calculated Property |
| η | 0.0004502 | Pa×s | 346.17 | Calculated Property |
| η | 0.0003988 | Pa×s | 366.55 | Calculated Property |
| η | 0.0003577 | Pa×s | 386.93 | Calculated Property |
| η | 0.0003244 | Pa×s | 407.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-methyl-.
Mixtures
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- 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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