- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
- InChI Key
- WGPCZPLRVAWXPW-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 198.30
- CAS
- 2305-05-7
- Other Names
-
- (.+/-.)-4-n-Octylbutyrolactone
- .gamma.-dodecalactone
- .gamma.-dodecanolactone
- .gamma.-laurolactone
- .gamma.-octylbutyrolactone
- 2(3H)-Furanone, dihydro-5-octyl-
- 2-(3H)-Furanone, 5-octyldihydro-
- 4-Dodecanolide
- 4-Hydroxydodecanoic acid lactone
- 4-Hydroxydodecanoic acid, «gamma»-lactone
- 5-octyldihydro-2(3H)-furanone
- Dihydro-5-octyl-2(3H)-furanone
- Dodecan-4-olide
- Dodecanoic acid, 4-hydroxy-, «gamma»-lactone
- Dodecanolide-1,4
- NSC 26511
- dihydro-5-octylfuran-2(3H)-one
- «gamma»-Dodecanolactone
- «gamma»-Dodecanolide
- «gamma»-Octyl-«gamma»-butyrolactone
- «gamma»-n-Octyl-«gamma»-n-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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -542.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Inp | [1627.30; 1720.00] |
|
|
| Inp | 1633.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1627.30 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1653.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | Outlier 1720.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1682.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1645.00 | NIST | |
| I | [2333.00; 2415.00] |
|
|
| I | 2365.00 | NIST | |
| I | 2345.00 | NIST | |
| I | 2348.00 | NIST | |
| I | 2372.00 | NIST | |
| I | Outlier 2415.00 | NIST | |
| I | 2372.00 | NIST | |
| I | 2381.00 | NIST | |
| I | 2366.00 | NIST | |
| I | 2366.00 | NIST | |
| I | 2380.00 | NIST | |
| I | 2367.00 | NIST | |
| I | 2384.00 | NIST | |
| I | 2357.00 | NIST | |
| I | 2376.00 | NIST | |
| I | 2399.00 | NIST | |
| I | 2384.00 | NIST | |
| I | 2353.00 | NIST | |
| I | 2398.00 | NIST | |
| I | Outlier 2333.00 | NIST | |
| I | 2397.00 | NIST | |
| I | 2368.00 | NIST | |
| I | 2409.00 | NIST | |
| I | 2357.00 | NIST | |
| I | 2370.00 | NIST | |
| I | 2370.00 | NIST | |
| I | 2384.00 | NIST | |
| I | 2376.00 | NIST | |
| I | 2376.00 | NIST | |
| I | 2343.00 | NIST | |
| I | 2396.00 | NIST | |
| I | 2365.00 | NIST | |
| I | 2371.00 | NIST | |
| I | 2367.00 | NIST | |
| I | 2395.00 | NIST | |
| I | 2360.00 | NIST | |
| I | 2411.00 | NIST | |
| I | 2402.00 | NIST | |
| I | 2399.00 | NIST | |
| I | 2379.00 | NIST | |
| I | 2354.00 | NIST | |
| I | 2355.00 | NIST | |
| I | 2395.00 | NIST | |
| I | 2399.00 | NIST | |
| I | 2396.00 | NIST | |
| I | Outlier 2333.00 | NIST | |
| I | 2379.00 | NIST | |
| I | 2369.00 | NIST | |
| I | 2379.00 | NIST | |
| I | 2372.00 | NIST | |
| I | 2366.00 | NIST | |
| I | 2376.00 | NIST | |
| I | Outlier 2333.00 | NIST | |
| I | 2384.00 | NIST | |
| I | 2365.00 | NIST | |
| I | 2411.00 | NIST | |
| I | 2355.00 | NIST | |
| I | 2395.00 | NIST | |
| I | 2369.00 | NIST | |
| I | 2370.00 | NIST | |
| Tboil | 588.84 | K | Relay (1.0) Calculated Property |
| Tfus | 256.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 |
|---|---|---|---|---|
| ΔvapH | 83.90 | kJ/mol | 298.15 | Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.94; 626.27] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.28530e+01 | |||
| Coefficient B | 1.23992e+00 | |||
| Coefficient C | -7.54600e-04 | |||
| Coefficient D | 1.73800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 319.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 377.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 429.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 474.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 514.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 549.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 578.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 604.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 626.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032530; 0.0004445] | Pa×s | [285.27; 502.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.03352e+01 | |||
| Coefficient B | 1.31424e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 285.27 | |||
| Temperature range, max. | 502.26 | |||
| η | 0.0032530 | Pa×s | 285.27 | Calculated Property |
| η | 0.0022717 | Pa×s | 309.38 | Calculated Property |
| η | 0.0016710 | Pa×s | 333.49 | Calculated Property |
| η | 0.0012811 | Pa×s | 357.60 | Calculated Property |
| η | 0.0010157 | Pa×s | 381.71 | Calculated Property |
| η | 0.0008278 | Pa×s | 405.82 | Calculated Property |
| η | 0.0006903 | Pa×s | 429.93 | Calculated Property |
| η | 0.0005869 | Pa×s | 454.04 | Calculated Property |
| η | 0.0005072 | Pa×s | 478.15 | Calculated Property |
| η | 0.0004445 | Pa×s | 502.26 | Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Dodecalactone.
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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