- InChI
- InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
- InChI Key
- RZTOWFMDBDPERY-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC1CCCC(=O)O1
- Molecular Weight1
- 114.14
- CAS
- 823-22-3
- Other Names
-
- .delta.-caprolactone
- 2H-Pyran-2-one, 6-methyl, tetrahydro
- 5-Hexanolide
- 5-Hydroxyhexanoic acid lactone
- <«delta»>-Hexalactone
- Hexanoic acid, 5-hydroxy-, lactone
- Hexanoic acid, 5-hydroxy-, «delta»-lactone
- delta-Hexalactone
- tetrahydro-6-methyl-2H-pyran-2-one
- «delta»-Caprolactone
- «delta»-Hexalactone
- «delta»-Hexanolactone
- «delta»-Hexanolide
- «delta»-Methyl-«delta»-valerolactone
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -435.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [58.10; 60.90] | kJ/mol |
|
| ΔvapH° | 58.10 | kJ/mol | NIST |
| ΔvapH° | 60.90 ± 0.10 | kJ/mol | NIST |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [1042.00; 1084.00] |
|
|
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1084.00 | NIST | |
| I | [1751.00; 1830.00] |
|
|
| I | 1818.00 | NIST | |
| I | 1751.00 | NIST | |
| I | 1770.00 | NIST | |
| I | 1789.00 | NIST | |
| I | 1787.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1798.00 | NIST | |
| I | 1816.00 | NIST | |
| I | 1772.00 | NIST | |
| I | 1786.00 | NIST | |
| I | 1792.00 | NIST | |
| I | 1818.00 | NIST | |
| I | 1792.00 | NIST | |
| Tboil | 498.82 | K | Relay (1.0) Calculated Property |
| Tc | 674.81 | K | Relay (1.0) Calculated Property |
| Tfus | 212.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-methyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of d-lactones
- Vapour pressure data of e-caprolactone, d-hexalactone, and c-caprolactone
- Phase behaviour of binary systems of lactones in carbon dioxide
- 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.
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