- InChI
- InChI=1S/C19H34O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h13-16H,3-12,17-18H2,1-2H3/b15-13+,16-14+
- InChI Key
- PBZKKWCQDPDQII-WXUKJITCSA-N
- Formula
- C19H34O2
- SMILES
- CCCCC=CCC(=O)OCC=CCCCCCCCC
- Molecular Weight1
- 294.47
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 49.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.973 | Crippen Calculated Property | |
| McVol | 277.410 | ml/mol | McGowan Calculated Property |
| Inp | 2082.00 | NIST | |
| Tboil | 581.18 | K | Relay (1.0) Calculated Property |
| Tc | 769.31 | K | Relay (1.0) Calculated Property |
| Tfus | 233.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [795.12; 892.92] | J/mol×K | [700.86; 875.56] | 
|
| Cp,gas | 795.12 | J/mol×K | 700.86 | Joback Calculated Property |
| Cp,gas | 813.54 | J/mol×K | 729.98 | Joback Calculated Property |
| Cp,gas | 831.06 | J/mol×K | 759.09 | Joback Calculated Property |
| Cp,gas | 847.72 | J/mol×K | 788.21 | Joback Calculated Property |
| Cp,gas | 863.56 | J/mol×K | 817.32 | Joback Calculated Property |
| Cp,gas | 878.61 | J/mol×K | 846.44 | Joback Calculated Property |
| Cp,gas | 892.92 | J/mol×K | 875.56 | Joback Calculated Property |
| η | [0.0000558; 0.0024512] | Pa×s | [336.06; 700.86] |
|
| η | 0.0024512 | Pa×s | 336.06 | Joback Calculated Property |
| η | 0.0008053 | Pa×s | 396.86 | Joback Calculated Property |
| η | 0.0003556 | Pa×s | 457.66 | Joback Calculated Property |
| η | 0.0001902 | Pa×s | 518.46 | Joback Calculated Property |
| η | 0.0001160 | Pa×s | 579.26 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 640.06 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 700.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-3-enoic acid, undec-2-en-1-yl 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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