- InChI
- InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
- InChI Key
- YZRXRLLRSPQHDK-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 184.28
- Other Names
-
- .delta.-hexylvalerolactone
- .delta.-undecalactone
- .delta.-undecanolactone
- 2H-Pyran-2-one, tetrahydro-3-hexyl-
- 5-Hydroxy-n-undecanoic acid «delta»-lactone
- 5-Hydroxyundecanoic acid lactone
- 5-Undecanolide
- 6-hexyltetrahydro-2H-pyran-2-one
- Undecan-5-olide
- Undecanoic acid, 5-hydroxy-, «delta»-lactone
- Undecanolactone
- Undecanolide-1,5
- «delta»-Hexyl-«delta»-valerolactone
- «delta»-Hexylvalerolactone
- «delta»-Undecalactone
- «delta»-Undecanolide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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.
- Ip : Polar retention indices.
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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 | 0.5672 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1535.00; 1579.00] |
|
|
| Inp | 1535.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Ip | [2264.00; 2356.00] |
|
|
| Ip | Outlier 2264.00 | NIST | |
| Ip | 2345.00 | NIST | |
| Ip | 2356.00 | NIST | |
| Ip | 2345.00 | NIST | |
| Ip | 2329.00 | NIST | |
| Ip | 2336.00 | NIST | |
| S°liquid | [369.50; 369.50] | J/mol×K |
|
| S°liquid | 369.50 | J/mol×K | NIST |
| S°liquid | 369.50 | J/mol×K | NIST |
| Tboil | 581.83 | K | Relay (1.0) Calculated Property |
| Tc | 749.91 | K | Relay (1.0) Calculated Property |
| Tfus | 243.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.608 | 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,liquid | [342.70; 342.70] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 342.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 342.70 | J/mol×K | 298.15 | NIST |
| ΔvapH | 80.10 | 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 | 426.70 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.84; 576.46] | 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 | -3.70650e+01 | |||
| Coefficient B | 1.13532e+00 | |||
| Coefficient C | -6.53800e-04 | |||
| Coefficient D | 1.32000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 288.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 343.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 435.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 472.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 505.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 533.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 556.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 576.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040506; 0.0003665] | Pa×s | [270.48; 494.80] |
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 | -1.08085e+01 | |||
| Coefficient B | 1.43345e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 270.48 | |||
| Temperature range, max. | 494.80 | |||
| η | 0.0040506 | Pa×s | 270.48 | Calculated Property |
| η | 0.0025901 | Pa×s | 295.40 | Calculated Property |
| η | 0.0017756 | Pa×s | 320.33 | Calculated Property |
| η | 0.0012854 | Pa×s | 345.25 | Calculated Property |
| η | 0.0009720 | Pa×s | 370.18 | Calculated Property |
| η | 0.0007613 | Pa×s | 395.10 | Calculated Property |
| η | 0.0006138 | Pa×s | 420.02 | Calculated Property |
| η | 0.0005070 | Pa×s | 444.95 | Calculated Property |
| η | 0.0004274 | Pa×s | 469.87 | Calculated Property |
| η | 0.0003665 | Pa×s | 494.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, 6-hexyltetrahydro-.
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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