- InChI
- InChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h10-13,15H,4-9,14H2,1-3H3/b12-10+,13-11+
- InChI Key
- DHMLVAHJCQWZQK-DCIPZJNNSA-N
- Formula
- C16H28O2
- SMILES
- CCCCC=CCC(=O)OC(C)C=CCCCC
- Molecular Weight1
- 252.39
- 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° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.801 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Inp | [1688.00; 1688.00] |
|
|
| Inp | 1688.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Tboil | 518.22 | K | Relay (1.0) Calculated Property |
| Tc | 714.50 | K | Relay (1.0) Calculated Property |
| Tfus | 217.51 | 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 | [627.07; 720.36] | J/mol×K | [631.78; 809.95] |
|
| Cp,gas | 627.07 | J/mol×K | 631.78 | Joback Calculated Property |
| Cp,gas | 644.68 | J/mol×K | 661.48 | Joback Calculated Property |
| Cp,gas | 661.42 | J/mol×K | 691.17 | Joback Calculated Property |
| Cp,gas | 677.32 | J/mol×K | 720.87 | Joback Calculated Property |
| Cp,gas | 692.42 | J/mol×K | 750.56 | Joback Calculated Property |
| Cp,gas | 706.76 | J/mol×K | 780.26 | Joback Calculated Property |
| Cp,gas | 720.36 | J/mol×K | 809.95 | Joback Calculated Property |
| η | [0.0000756; 0.0048950] | Pa×s | [287.25; 631.78] |
|
| η | 0.0048950 | Pa×s | 287.25 | Joback Calculated Property |
| η | 0.0013689 | Pa×s | 344.67 | Joback Calculated Property |
| η | 0.0005509 | Pa×s | 402.09 | Joback Calculated Property |
| η | 0.0002783 | Pa×s | 459.51 | Joback Calculated Property |
| η | 0.0001636 | Pa×s | 516.94 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 574.36 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 631.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-3-enoic acid, oct-3-en-2-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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