- InChI
- InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
- InChI Key
- JBFHTYHTHYHCDJ-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CCC1CCC(=O)O1
- Molecular Weight1
- 114.14
- CAS
- 695-06-7
- Other Names
-
- .gamma.-caprolactone
- 2(3H)-Furanone-5-ethyldihydro-5
- 4-Ethyl-4-butanolide
- 4-Ethylbutanolide
- 4-Hexanolide
- 4-Hydroxyhexanoic acid lactone
- 4-ethylbutanolide («gamma»-hexalactone)
- 5-Ethyldihydrofuran-2(3H)-one
- 5-Ethyltetrahydro-2-furanone
- 5-ethyldihydro-2(3H)-furanone
- 6-Caprolactone
- Dihydro-5-ethyl-2(3H)-furanone
- Furan-2-one (3 H) 5-ethyl(dihydro)
- Hexan-4-olide
- Hexanoic acid, 4-hydroxy-, lactone
- Hexanoic acid, 4-hydroxy-, «gamma»-lactone
- Hexanolide-1,4
- NSC 134769
- NSC 24255
- Tonkalide
- Toukalide
- hexa-4-olide
- «gamma»-Caprolactone
- «gamma»-Ethyl-n-butyrolactone
- «gamma»-Ethyl-«gamma»-butyrolactone
- «gamma»-Ethylbutyrolactone
- «gamma»-Hexalactone
- «gamma»-Hexanolactone
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- 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 | 0.3896 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.30; 57.20] | kJ/mol |
|
| ΔvapH° | 57.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 55.30 ± 0.60 | kJ/mol | NIST |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Inp | [1003.00; 1074.00] |
|
|
| Inp | 1006.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1055.20 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1032.00 | NIST | |
| I | [1655.00; 1745.00] |
|
|
| I | 1671.00 | NIST | |
| I | Outlier 1745.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1683.00 | NIST | |
| I | 1690.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1672.00 | NIST | |
| I | 1709.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1683.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1687.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1709.00 | NIST | |
| I | 1671.00 | NIST | |
| Tboil | 492.20 | K | NIST |
| Tc | 653.39 | K | Relay (1.0) Calculated Property |
| Tfus | 208.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-ethyldihydro-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
- Vapour pressures and enthalpies of vapourization of a series of the c-lactones
- Phase behaviour of binary systems of lactones in carbon dioxide
- Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography
- Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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.