- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -184.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.62 | 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 |
| log10WS | -1.20 | Crippen Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 91.980 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | 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 | 1084.00 | NIST | |
| Inp | 1056.00 | NIST | |
| I | [1751.00; 1830.00] |
|
|
| I | 1818.00 | NIST | |
| I | Outlier 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 | |
| I | 1789.00 | NIST | |
| I | 1772.00 | NIST | |
| I | 1818.00 | NIST | |
| Tboil | 451.00 | K | Joback Calculated Property |
| Tc | 676.91 | K | Joback Calculated Property |
| Tfus | 259.55 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.86; 267.01] | J/mol×K | [451.00; 676.91] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 200 220 240 260 500 600 | ||||
| Cp,gas | 191.86 | J/mol×K | 451.00 | Joback Calculated Property |
| Cp,gas | 205.87 | J/mol×K | 488.65 | Joback Calculated Property |
| Cp,gas | 219.30 | J/mol×K | 526.30 | Joback Calculated Property |
| Cp,gas | 232.15 | J/mol×K | 563.96 | Joback Calculated Property |
| Cp,gas | 244.40 | J/mol×K | 601.61 | Joback Calculated Property |
| Cp,gas | 256.02 | J/mol×K | 639.26 | Joback Calculated Property |
| Cp,gas | 267.01 | J/mol×K | 676.91 | Joback Calculated Property |
| Pvap | [3.58e-03; 0.56] | kPa | [283.10; 353.10] |
|
|
T(K) Vapor pressure (kPa) 0 0.1 0.2 0.3 0.4 0.5 0.6 300 320 340 | ||||
| Pvap | 5.00e-03 | kPa | 283.10 | Vapour ... |
| Pvap | 3.58e-03 | kPa | 283.20 | Vapour ... |
| Pvap | 3.80e-03 | kPa | 283.20 | Vapour ... |
| Pvap | 4.49e-03 | kPa | 285.30 | Vapour ... |
| Pvap | 5.52e-03 | kPa | 288.20 | Vapour ... |
| Pvap | 5.81e-03 | kPa | 288.20 | Vapour ... |
| Pvap | 5.57e-03 | kPa | 288.40 | Vapour ... |
| Pvap | 8.61e-03 | kPa | 293.20 | Vapour ... |
| Pvap | 0.01 | kPa | 293.20 | Vapour ... |
| Pvap | 8.93e-03 | kPa | 293.30 | Vapour ... |
| Pvap | 0.01 | kPa | 298.20 | Vapour ... |
| Pvap | 0.01 | kPa | 298.20 | Vapour ... |
| Pvap | 0.02 | kPa | 303.00 | Vapour ... |
| Pvap | 0.03 | kPa | 303.10 | Vapour ... |
| Pvap | 0.02 | kPa | 303.30 | Vapour ... |
| Pvap | 0.03 | kPa | 308.20 | Vapour ... |
| Pvap | 0.03 | kPa | 308.20 | Vapour ... |
| Pvap | 0.05 | kPa | 313.10 | Vapour ... |
| Pvap | 0.04 | kPa | 313.20 | Vapour ... |
| Pvap | 0.04 | kPa | 313.30 | Vapour ... |
| Pvap | 0.06 | kPa | 318.10 | Vapour ... |
| Pvap | 0.10 | kPa | 323.20 | Vapour ... |
| Pvap | 0.09 | kPa | 323.20 | Vapour ... |
| Pvap | 0.12 | kPa | 328.20 | Vapour ... |
| Pvap | 0.12 | kPa | 328.20 | Vapour ... |
| Pvap | 0.19 | kPa | 333.10 | Vapour ... |
| Pvap | 0.17 | kPa | 333.20 | Vapour ... |
| Pvap | 0.19 | kPa | 335.20 | Vapour ... |
| Pvap | 0.24 | kPa | 338.20 | Vapour ... |
| Pvap | 0.23 | kPa | 338.30 | Vapour ... |
| Pvap | 0.35 | kPa | 343.10 | Vapour ... |
| Pvap | 0.31 | kPa | 343.20 | Vapour ... |
| Pvap | 0.42 | kPa | 348.20 | Vapour ... |
| Pvap | 0.42 | kPa | 348.20 | Vapour ... |
| Pvap | 0.53 | kPa | 352.20 | Vapour ... |
| Pvap | 0.56 | kPa | 353.10 | Vapour ... |
| ρl | [1023.51; 1053.81] | kg/m3 | [288.15; 323.15] |
|
|
T(K) Liquid Density (kg/m3) 1025 1030 1035 1040 1045 1050 1055 290 300 310 320 | ||||
| ρl | 1053.81 | kg/m3 | 288.15 | Thermal... |
| ρl | 1049.47 | kg/m3 | 293.15 | Thermal... |
| ρl | 1045.14 | kg/m3 | 298.15 | Thermal... |
| ρl | 1040.81 | kg/m3 | 303.15 | Thermal... |
| ρl | 1036.48 | kg/m3 | 308.15 | Thermal... |
| ρl | 1032.15 | kg/m3 | 313.15 | Thermal... |
| ρl | 1027.82 | kg/m3 | 318.15 | Thermal... |
| ρl | 1023.51 | kg/m3 | 323.15 | Thermal... |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-methyl-.
Mixtures
Sources
- 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
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