- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
- InChI Key
- QRPLZGZHJABGRS-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 198.30
- CAS
- 713-95-1
- Other Names
-
- .delta.-dodecalactone
- .delta.-dodecanolactone
- .delta.-heptylvalerolactone
- 2H-Pyran-2-one, 6-heptyltetrahydro-
- 2H-Pyran-2-one, tetrahydro-6-heptyl
- 5-Dodecanolide
- 5-Hydroxydodecanoic acid lactone
- 5-Hydroxydodecanoic acid, «delta»-lactone
- 6-heptyltetrahydro-2H-pyran-2-one
- Dodecan-5-olide
- Dodecanoic acid, 5-hydroxy-, «delta»-lactone
- n-Heptyl-«delta»-valerolactone
- «beta»-Dodecalactone
- «delta»-Dodecanolide
- «delta»-Heptyl-«delta»-valerolactone
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6077 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1670.00; 1730.00] |
|
|
| Inp | 1725.00 | NIST | |
| Inp | 1702.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | Outlier 1670.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1715.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1710.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1708.00 | NIST | |
| I | [2386.00; 2470.00] |
|
|
| I | 2426.00 | NIST | |
| I | 2470.00 | NIST | |
| I | 2467.00 | NIST | |
| I | 2466.00 | NIST | |
| I | 2466.00 | NIST | |
| I | 2420.00 | NIST | |
| I | 2458.00 | NIST | |
| I | 2386.00 | NIST | |
| I | 2395.00 | NIST | |
| I | 2458.00 | NIST | |
| I | 2420.00 | NIST | |
| I | 2423.00 | NIST | |
| I | 2455.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2416.00 | NIST | |
| I | 2445.00 | NIST | |
| I | 2462.00 | NIST | |
| I | 2455.00 | NIST | |
| I | 2426.00 | NIST | |
| I | 2406.00 | NIST | |
| Tboil | 594.28 | K | Relay (1.0) Calculated Property |
| Tc | 763.95 | K | Relay (1.0) Calculated Property |
| Tfus | 254.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.55; 537.75] | J/mol×K | [543.39; 727.68] |
|
| Cp,gas | 444.55 | J/mol×K | 543.39 | Joback Calculated Property |
| Cp,gas | 462.17 | J/mol×K | 574.11 | Joback Calculated Property |
| Cp,gas | 478.92 | J/mol×K | 604.82 | Joback Calculated Property |
| Cp,gas | 494.83 | J/mol×K | 635.54 | Joback Calculated Property |
| Cp,gas | 509.92 | J/mol×K | 666.25 | Joback Calculated Property |
| Cp,gas | 524.22 | J/mol×K | 696.97 | Joback Calculated Property |
| Cp,gas | 537.75 | J/mol×K | 727.68 | Joback Calculated Property |
| η | [0.0002967; 0.0040367] | Pa×s | [281.75; 543.39] |
|
| η | 0.0040367 | Pa×s | 281.75 | Joback Calculated Property |
| η | 0.0019518 | Pa×s | 325.36 | Joback Calculated Property |
| η | 0.0011206 | Pa×s | 368.96 | Joback Calculated Property |
| η | 0.0007234 | Pa×s | 412.57 | Joback Calculated Property |
| η | 0.0005078 | Pa×s | 456.18 | Joback Calculated Property |
| η | 0.0003791 | Pa×s | 499.78 | Joback Calculated Property |
| η | 0.0002967 | Pa×s | 543.39 | Joback Calculated Property |
| ΔvapH | 84.60 | kJ/mol | 298.15 | Vapor pressures and enthalpies of vaporization of a series of .gamma. and .delta.-lactones by correlation gas chromatography |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to «delta»-Dodecalactone.
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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