- 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
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.4745 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback 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 | 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 | 1915.00 | NIST | |
| I | 1883.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1916.00 | NIST | |
| I | 1881.00 | NIST | |
| I | 1889.00 | NIST | |
| I | 1939.00 | NIST | |
| I | 1898.00 | NIST | |
| Tboil | 532.93 | K | Relay (1.0) Calculated Property |
| Tc | 687.19 | K | Relay (1.0) Calculated Property |
| Tfus | 214.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.64; 359.89] | J/mol×K | [492.49; 703.24] |
|
| Cp,gas | 277.64 | J/mol×K | 492.49 | Joback Calculated Property |
| Cp,gas | 293.06 | J/mol×K | 527.61 | Joback Calculated Property |
| Cp,gas | 307.80 | J/mol×K | 562.74 | Joback Calculated Property |
| Cp,gas | 321.85 | J/mol×K | 597.86 | Joback Calculated Property |
| Cp,gas | 335.21 | J/mol×K | 632.99 | Joback Calculated Property |
| Cp,gas | 347.89 | J/mol×K | 668.11 | Joback Calculated Property |
| Cp,gas | 359.89 | J/mol×K | 703.24 | 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)
- 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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