- 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
-
- (.+/-.)-4-Methylbutyrolactone
- (.+/-.)-«gamma»-Valerolactone
- .gamma.-valerolactone
- 2(3H)-Furanone, dihydro-5-methyl-, (.+/-.)-
- 4-Hydroxypentanoic acid lactone
- 4-Hydroxyvaleric acid lactone
- 4-Methyl-«gamma»-butyrolactone
- 4-Valerolactone
- 4-methylbutyrolactone
- 4-pentanolide
- 5-Methyldihydro-2(3H)-furanone
- 5-Methyldihydrofuran-2(3H)-one
- 5-methyloxolan-2-one
- 5-methyltetrahydro-2-furanone
- 5-methyltetrahydrofuran-2-one
- NSC 33700
- Pentan-4-olide
- Pentanoic acid, 4-hydroxy-, «gamma»-lactone
- Valeric acid, 4-hydroxy-, gamma-lactone
- Valeric acid, 4-hydroxy-, «gamma»-lactone
- Valerolactone
- dihydro-5-methyl-2(3H)-furanone
- dihydro-5-methyl-2-furanone
- gamma-Valerolactone
- «gamma»-Methyl-«gamma»-butyrolactone
- «gamma»-Pentalactone
- «gamma»-Pentanolactone
- «gamma»-Valerolactone
- «gamma»-Valerolakton
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- csound,fluid : Speed of sound in fluid (m/s).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 11.21 | 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 | |
| Ip | [1574.00; 1648.00] |
|
|
| Ip | 1619.00 | NIST | |
| Ip | 1595.00 | NIST | |
| Ip | 1589.00 | NIST | |
| Ip | 1589.00 | NIST | |
| Ip | 1619.00 | NIST | |
| Ip | 1600.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | Outlier 1648.00 | NIST | |
| Ip | 1629.00 | NIST | |
| Ip | 1605.00 | NIST | |
| Ip | 1614.00 | NIST | |
| Ip | 1626.00 | NIST | |
| Ip | 1617.00 | NIST | |
| Ip | 1574.00 | NIST | |
| Ip | 1600.00 | NIST | |
| Ip | 1622.00 | NIST | |
| Ip | 1617.00 | NIST | |
| Ip | 1617.00 | NIST | |
| Ip | 1617.00 | NIST | |
| Ip | 1629.00 | NIST | |
| Ip | 1574.00 | NIST | |
| Ip | 1619.00 | NIST | |
| Ip | 1600.00 | NIST | |
| Tboil | [479.20; 480.70] | K |
|
| Tboil | 480.20 | K | Vapor-Liquid Equilibrium Study of the Gamma- Valerolactone-Water Binary System |
| Tboil | 479.20 | K | NIST |
| Tboil | 480.70 | K | NIST |
| Tfus | [238.34; 242.15] | K |
|
| Tfus | 238.34 | K | Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, -Valerolactone, and -Butyrolactone |
| Tfus | 242.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
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
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 356.70 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.45; 265.13] | 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 | -2.64900e+01 | |||
| Coefficient B | 5.74920e-01 | |||
| Coefficient C | -3.73800e-04 | |||
| Coefficient D | 9.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 134.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 160.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 182.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 202.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 219.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 233.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 246.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 256.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 265.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010090; 0.0003421] | Pa×s | [240.25; 398.20] |
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 | -9.62566e+00 | |||
| Coefficient B | 6.55120e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 240.25 | |||
| Temperature range, max. | 398.20 | |||
| η | 0.0010090 | Pa×s | 240.25 | Calculated Property |
| η | 0.0008381 | Pa×s | 257.80 | Calculated Property |
| η | 0.0007127 | Pa×s | 275.35 | Calculated Property |
| η | 0.0006180 | Pa×s | 292.90 | Calculated Property |
| η | 0.0005446 | Pa×s | 310.45 | Calculated Property |
| η | 0.0004865 | Pa×s | 328.00 | Calculated Property |
| η | 0.0004395 | Pa×s | 345.55 | Calculated Property |
| η | 0.0004011 | Pa×s | 363.10 | Calculated Property |
| η | 0.0003690 | Pa×s | 380.65 | Calculated Property |
| η | 0.0003421 | Pa×s | 398.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.12; 95.16] | kPa | [310.70; 480.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.26321e+01 | |||
| Coefficient B | -3.02795e+03 | |||
| Coefficient C | -1.05793e+02 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 310.70 | |||
| Temperature range, max. | 480.70 | |||
| Pvap | 0.12 | kPa | 310.70 | Calculated Property |
| Pvap | 0.41 | kPa | 329.59 | Calculated Property |
| Pvap | 1.17 | kPa | 348.48 | Calculated Property |
| Pvap | 2.88 | kPa | 367.37 | Calculated Property |
| Pvap | 6.27 | kPa | 386.26 | Calculated Property |
| Pvap | 12.39 | kPa | 405.14 | Calculated Property |
| Pvap | 22.59 | kPa | 424.03 | Calculated Property |
| Pvap | 38.49 | kPa | 442.92 | Calculated Property |
| Pvap | 61.99 | kPa | 461.81 | Calculated Property |
| Pvap | 95.16 | kPa | 480.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, dihydro-5-methyl-.
Mixtures
- 2(3H)-Furanone, dihydro-5-methyl- + Sulfur dioxide
- 2(3H)-Furanone, dihydro-5-methyl- + Tetradecane
- 2(3H)-Furanone, dihydro-5-methyl- + Heptane
- 2(3H)-Furanone, dihydro-5-methyl- + Decane
- Dodecane + 2(3H)-Furanone, dihydro-5-methyl-
- 2(3H)-Furanone, dihydro-5-methyl- + Cyclohexane
- 2(3H)-Furanone, dihydro-5-methyl- + 1-Pentene, 2,4,4-trimethyl-
- 2(3H)-Furanone, dihydro-5-methyl- + Butanoic acid + Tetradecane
- 2(3H)-Furanone, dihydro-5-methyl- + Hexanoic acid + Tetradecane
- 2(3H)-Furanone, dihydro-5-methyl- + Tetradecane + Methyl tetradecanoate
- Carbon dioxide + 2(3H)-Furanone, dihydro-5-methyl-
- Furfural + 2(3H)-Furanone, dihydro-5-methyl-
- Carbon dioxide + 2(3H)-Furanone, dihydro-5-methyl- + Water
- 2(3H)-Furanone, dihydro-5-methyl- + Water
- Toluene + 2(3H)-Furanone, dihydro-5-methyl- + Heptane
- Toluene + 2(3H)-Furanone, dihydro-5-methyl- + Decane
- Toluene + Dodecane + 2(3H)-Furanone, dihydro-5-methyl-
- Toluene + 2(3H)-Furanone, dihydro-5-methyl- + Cyclohexane
- 2(3H)-Furanone, dihydro-5-methyl- + Formic acid
- 2(3H)-Furanone, dihydro-5-methyl- + Methyl Alcohol
Find more mixtures with 2(3H)-Furanone, dihydro-5-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Solubility behavior of .gamma.-valerolactone + n-tetradecane or diesel mixtures at different temperatures
- Vapour pressures and enthalpies of vapourization of a series of the c-lactones
- Solubilities and thermodynamic properties of SO2 in five biobased solvents
- A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
- Experimental and Computational Study on Liquid Liquid Equilibrium in Ternary Systems of -Valerolactone, Toluene, and Hydrocarbons
- Vapor - Liquid Equilibria, Excess Enthalpy and Density of Aqueous Gamma-valerolactone Solutions
- Vapor-Liquid Equilibrium Study of the Gamma- Valerolactone-Water Binary System
- Isobaric Vapor Liquid Equilibria for Binary Mixtures of .gamma.-Valerolactone + Methanol, Ethanol, and 2-Propanol
- Vapor Liquid Equilibrium of Gamma-Valerolactone and Formic Acid at p = 51 kPa
- Vapor Pressures and Thermophysical Properties of Ethylene Carbonate, Propylene Carbonate, -Valerolactone, and -Butyrolactone
- Isobaric Vapor-Liquid Equilibrium of Furfural + gamma-Valerolactone at 30 kPa and Isothermal Liquid-Liquid Equilibrium of Carbon Dioxide + gamma-Valerolactone + Water at 298 K
- Liquid-Liquid Equilibria for Ternary Mixtures of gamma-Valerolactone + n-Tetradecane + (Butanoic Acid or Hexanoic Acid or Methyl Myristate) at 298.15 K
- Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
- Solubilities of Carbon Dioxide in Five Bio-based Solvents
- Binary Liquid Liquid Equilibria of ?-Valerolactone with Some Hydrocarbons
- Phase Behavior, Densities, and Isothermal Compressibility of CO2 + a-Valerolactone Systems in Various Phase Regions
- Joback Method
- McGowan Method
- NIST Webbook
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