- InChI
- InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
- InChI Key
- IPBFYZQJXZJBFQ-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCCCC1CCC(=O)O1
- Molecular Weight1
- 142.20
- CAS
- 104-50-7
- Other Names
-
- .gamma.-butylbutyrolactone
- .gamma.-octalactone
- .gamma.-octanolactone
- 2(3H)-Furanone, dihydro-5-butyl-
- 4-Butyl-«gamma»-butyrolactone
- 4-Hydroxyoctanoic acid lactone
- 4-Hydroxyoctanoic acid, «gamma»-lactone
- 4-Octanolide
- 5-Butyldihydrofuran-2(3H)-one
- 5-Butyltetrahydro-2-furanone
- 5-butyldihydro-2(3H)-furanone
- NSC 24270
- Octan-4-olide
- Octanoic acid, 4-hydroxy-, lactone
- Octanoic acid, 4-hydroxy-, «gamma»-lactone
- Octanoic acid, «gamma» lactone
- Octanolide-1,4
- «gamma» -0ctalactone
- «gamma»-Butyl-«gamma»-butyrolactone
- «gamma»-Butylbutyrolactone
- «gamma»-Octalactone
- «gamma»-Octanolactone
- «gamma»-n-Butyl-«gamma»-butyrolactone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -458.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.57 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Inp | [1208.00; 1277.00] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1229.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1223.80 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1236.00 | NIST | |
| I | [1866.00; 1950.00] |
|
|
| I | 1880.00 | NIST | |
| I | 1946.00 | NIST | |
| I | 1950.00 | NIST | |
| I | 1881.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1917.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1885.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1889.00 | NIST | |
| I | 1946.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1934.00 | NIST | |
| I | 1898.00 | NIST | |
| I | 1907.70 | NIST | |
| I | 1910.50 | NIST | |
| I | 1898.00 | NIST | |
| I | 1901.00 | NIST | |
| I | 1883.00 | NIST | |
| I | 1878.00 | NIST | |
| I | 1878.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1939.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1878.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1881.00 | NIST | |
| I | 1923.00 | NIST | |
| I | 1924.00 | NIST | |
| I | 1881.00 | NIST | |
| I | 1919.00 | NIST | |
| I | 1889.00 | NIST | |
| I | 1924.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1939.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1867.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1898.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1937.00 | NIST | |
| I | 1910.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1883.00 | NIST | |
| I | 1923.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1883.00 | NIST | |
| I | 1888.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1881.00 | NIST | |
| I | 1943.00 | NIST | |
| I | 1878.00 | NIST | |
| I | 1939.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1881.00 | NIST | |
| I | 1889.00 | NIST | |
| I | 1898.00 | NIST | |
| I | 1915.00 | NIST | |
| I | 1883.00 | NIST | |
| I | 1866.00 | NIST | |
| Tboil | 532.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [259.41; 331.99] | J/mol×K | [447.60; 633.12] |
|
| Cp,gas | 259.41 | J/mol×K | 447.60 | Joback Calculated Property |
| Cp,gas | 273.14 | J/mol×K | 478.52 | Joback Calculated Property |
| Cp,gas | 286.18 | J/mol×K | 509.44 | Joback Calculated Property |
| Cp,gas | 298.56 | J/mol×K | 540.36 | Joback Calculated Property |
| Cp,gas | 310.31 | J/mol×K | 571.28 | Joback Calculated Property |
| Cp,gas | 321.45 | J/mol×K | 602.20 | Joback Calculated Property |
| Cp,gas | 331.99 | J/mol×K | 633.12 | Joback Calculated Property |
| η | [0.0004192; 0.0025588] | Pa×s | [240.19; 447.60] |
|
| η | 0.0025588 | Pa×s | 240.19 | Joback Calculated Property |
| η | 0.0015659 | Pa×s | 274.76 | Joback Calculated Property |
| η | 0.0010694 | Pa×s | 309.33 | Joback Calculated Property |
| η | 0.0007885 | Pa×s | 343.89 | Joback Calculated Property |
| η | 0.0006147 | Pa×s | 378.46 | Joback Calculated Property |
| η | 0.0004996 | Pa×s | 413.03 | Joback Calculated Property |
| η | 0.0004192 | Pa×s | 447.60 | Joback Calculated Property |
| ΔvapH | 66.00 | kJ/mol | 298.15 | Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-butyldihydro-.
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
- Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
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