- InChI
- InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
- InChI Key
- GAEKPEKOJKCEMS-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CC1CCC(=O)O1
- Molecular Weight1
- 100.12
- CAS
- 108-29-2
- Other Names
-
- «gamma»-Methyl-«gamma»-butyrolactone
- «gamma»-Pentalactone
- «gamma»-Valerolactone
- Pentanoic acid, 4-hydroxy-, «gamma»-lactone
- 4-Hydroxypentanoic acid lactone
- 4-Hydroxyvaleric acid lactone
- 4-Methyl-«gamma»-butyrolactone
- 4-Pentanolide
- 4-Valerolactone
- «gamma»-Pentanolactone
- «gamma»-Valerolakton
- Dihydro-5-methyl-2(3H)-furanone
- Valeric acid, 4-hydroxy-, gamma-lactone
- gamma-Valerolactone
- 5-Methyldihydrofuran-2(3H)-one
- 5-methyltetrahydrofuran-2-one
- Dihydro-5-methyl-2-furanone
- (.+/-.)-«gamma»-Valerolactone
- (.+/-.)-4-Methylbutyrolactone
- 5-Methyltetrahydro-2-furanone
- NSC 33700
- Valeric acid, 4-hydroxy-, «gamma»-lactone
- Valerolactone
- 5-Methyldihydro-2(3H)-furanone
- Pentan-4-olide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2649.60 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -406.50 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -461.30 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.90; 54.80] | kJ/mol |
|
| ΔvapH° | 53.90 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 54.80 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 54.80 | kJ/mol | NIST |
| ΔvapH° | 54.80 ± 0.40 | kJ/mol | NIST |
| logPoct/wat | 0.712 | Crippen Calculated Property | |
| McVol | 77.890 | ml/mol | McGowan Calculated Property |
| Inp | [898.00; 978.00] |
|
|
| Inp | 898.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 962.30 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 914.00 | NIST | |
| I | [1574.00; 1648.00] |
|
|
| I | 1619.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1589.00 | NIST | |
| I | 1589.00 | NIST | |
| I | 1619.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1590.00 | NIST | |
| I | Outlier 1648.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1605.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1626.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1619.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 480.70 | K | NIST |
| Tfus | 215.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 |
|---|---|---|---|---|
| Cp,gas | [154.05; 216.54] | J/mol×K | [423.85; 643.76] |
|
| Cp,gas | 154.05 | J/mol×K | 423.85 | Joback Calculated Property |
| Cp,gas | 165.60 | J/mol×K | 460.50 | Joback Calculated Property |
| Cp,gas | 176.71 | J/mol×K | 497.15 | Joback Calculated Property |
| Cp,gas | 187.37 | J/mol×K | 533.80 | Joback Calculated Property |
| Cp,gas | 197.57 | J/mol×K | 570.45 | Joback Calculated Property |
| Cp,gas | 207.30 | J/mol×K | 607.10 | Joback Calculated Property |
| Cp,gas | 216.54 | J/mol×K | 643.76 | Joback Calculated Property |
| ΔvapH | 53.50 | kJ/mol | 395.00 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, dihydro-5-methyl-.
Sources
- Cheméo Relay (1.0)
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.