- InChI
- InChI=1S/C19H32O2/c1-4-6-8-10-11-12-13-15-17-19(20)21-18(3)16-14-9-7-5-2/h1,14,16,18H,5-13,15,17H2,2-3H3/b16-14+
- InChI Key
- FNRWYESTOQNFSD-JQIJEIRASA-N
- Formula
- C19H32O2
- SMILES
- C#CCCCCCCCCC(=O)OC(C)C=CCCCC
- Molecular Weight1
- 292.46
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -467.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.01 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.418 | Crippen Calculated Property | |
| McVol | 273.110 | ml/mol | McGowan Calculated Property |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 574.81 | K | Relay (1.0) Calculated Property |
| Tc | 760.22 | K | Relay (1.0) Calculated Property |
| Tfus | 275.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [776.09; 871.96] | J/mol×K | [704.25; 884.88] |
|
| Cp,gas | 776.09 | J/mol×K | 704.25 | Joback Calculated Property |
| Cp,gas | 794.15 | J/mol×K | 734.36 | Joback Calculated Property |
| Cp,gas | 811.34 | J/mol×K | 764.46 | Joback Calculated Property |
| Cp,gas | 827.67 | J/mol×K | 794.57 | Joback Calculated Property |
| Cp,gas | 843.20 | J/mol×K | 824.67 | Joback Calculated Property |
| Cp,gas | 857.95 | J/mol×K | 854.78 | Joback Calculated Property |
| Cp,gas | 871.96 | J/mol×K | 884.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic 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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