- InChI
- InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
- InChI Key
- PHXATPHONSXBIL-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 184.28
- CAS
- 104-67-6
- Other Names
-
- .gamma.-heptylbutyrolactone
- .gamma.-undecalactone
- .gamma.-undecanolactone
- 1,4-Undecanolide
- 4-Hydroxyundecanoic acid lactone
- 4-Hydroxyundecanoic acid, «gamma»-lactone
- 4-Undecanolide
- 5-heptyldihydro-2(3H)-furanone
- Aldehyde C-14
- Aldehyde C-14 peach
- NSC 406421
- Peach aldehyde
- Peach lactone
- Persicol
- Undecanoic acid, 4-hydroxy-, «gamma»-lactone
- Undecanoic «gamma»-lactone
- Undecanolide-1,4
- undecan-4-olide
- «gamma»-Heptyl-«gamma»-butyrolactone
- «gamma»-Heptylbutyrolactone
- «gamma»-Undecalactone
- «gamma»-Undecalatone
- «gamma»-Undecanolactone
- «gamma»-Undecanolide
- «gamma»-Undekalakton
- «gamma»-n-Heptylbutyrolactone
- 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).
- Tboilr : Boiling point at reduced pressure (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 | -521.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Inp | [1521.00; 1590.00] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1532.60 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1524.50 | NIST | |
| Inp | 1525.10 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1589.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Inp | 1525.10 | NIST | |
| Inp | 1573.00 | NIST | |
| I | [2210.00; 2300.00] |
|
|
| I | 2210.00 | NIST | |
| I | 2266.00 | NIST | |
| I | 2238.00 | NIST | |
| I | 2254.70 | NIST | |
| I | 2259.30 | NIST | |
| I | 2270.00 | NIST | |
| I | 2247.00 | NIST | |
| I | 2270.00 | NIST | |
| I | 2235.00 | NIST | |
| I | 2288.00 | NIST | |
| I | 2210.00 | NIST | |
| I | 2214.00 | NIST | |
| I | 2300.00 | NIST | |
| I | 2218.00 | NIST | |
| I | 2300.00 | NIST | |
| I | 2300.00 | NIST | |
| I | 2266.00 | NIST | |
| I | 2214.00 | NIST | |
| I | 2270.00 | NIST | |
| I | 2210.00 | NIST | |
| Tboil | 577.55 | K | Relay (1.0) Calculated Property |
| Tfus | 245.49 | 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 |
|---|---|---|---|---|
| Cp,gas | [394.78; 480.46] | J/mol×K | [516.24; 696.35] |
|
| Cp,gas | 394.78 | J/mol×K | 516.24 | Joback Calculated Property |
| Cp,gas | 410.93 | J/mol×K | 546.26 | Joback Calculated Property |
| Cp,gas | 426.30 | J/mol×K | 576.28 | Joback Calculated Property |
| Cp,gas | 440.91 | J/mol×K | 606.30 | Joback Calculated Property |
| Cp,gas | 454.79 | J/mol×K | 636.32 | Joback Calculated Property |
| Cp,gas | 467.96 | J/mol×K | 666.34 | Joback Calculated Property |
| Cp,gas | 480.46 | J/mol×K | 696.35 | Joback Calculated Property |
| η | [0.0003913; 0.0031615] | Pa×s | [274.00; 516.24] |
|
| η | 0.0031615 | Pa×s | 274.00 | Joback Calculated Property |
| η | 0.0017846 | Pa×s | 314.37 | Joback Calculated Property |
| η | 0.0011474 | Pa×s | 354.75 | Joback Calculated Property |
| η | 0.0008074 | Pa×s | 395.12 | Joback Calculated Property |
| η | 0.0006064 | Pa×s | 435.49 | Joback Calculated Property |
| η | 0.0004781 | Pa×s | 475.87 | Joback Calculated Property |
| η | 0.0003913 | Pa×s | 516.24 | Joback Calculated Property |
| ΔvapH | 79.40 | 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 | 438.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-heptyldihydro-.
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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