- InChI
- InChI=1S/C14H26O2/c1-5-6-7-8-9-10-14(15)16-13(4)11-12(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+
- InChI Key
- HCTGXNACTPGUST-CMDGGOBGSA-N
- Formula
- C14H26O2
- SMILES
- CCCCC=CCC(=O)OC(C)CC(C)C
- Molecular Weight1
- 226.35
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -608.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.101 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Inp | [1491.00; 1491.00] |
|
|
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Tboil | 501.63 | K | Relay (1.0) Calculated Property |
| Tc | 687.55 | K | Relay (1.0) Calculated Property |
| Tfus | 201.77 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [548.16; 639.81] | J/mol×K | [599.29; 779.11] |
|
| Cp,gas | 548.16 | J/mol×K | 599.29 | Joback Calculated Property |
| Cp,gas | 565.33 | J/mol×K | 629.26 | Joback Calculated Property |
| Cp,gas | 581.71 | J/mol×K | 659.23 | Joback Calculated Property |
| Cp,gas | 597.32 | J/mol×K | 689.20 | Joback Calculated Property |
| Cp,gas | 612.19 | J/mol×K | 719.17 | Joback Calculated Property |
| Cp,gas | 626.35 | J/mol×K | 749.14 | Joback Calculated Property |
| Cp,gas | 639.81 | J/mol×K | 779.11 | Joback Calculated Property |
| η | [0.0001141; 0.0049998] | Pa×s | [284.62; 599.29] |
|
| η | 0.0049998 | Pa×s | 284.62 | Joback Calculated Property |
| η | 0.0016313 | Pa×s | 337.06 | Joback Calculated Property |
| η | 0.0007196 | Pa×s | 389.51 | Joback Calculated Property |
| η | 0.0003855 | Pa×s | 441.95 | Joback Calculated Property |
| η | 0.0002357 | Pa×s | 494.40 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 546.85 | Joback Calculated Property |
| η | 0.0001141 | Pa×s | 599.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octenoic acid, 4-methyl-2-pentyl ester.
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
- Joback Method
- McGowan Method
- NIST Webbook
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