- InChI
- InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-17(18)16-13-14-16/h16H,2-10,13-15H2,1H3
- InChI Key
- OSELOIIYMCUZBT-UHFFFAOYSA-N
- Formula
- C17H28O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)C1CC1
- Molecular Weight1
- 264.41
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -371.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.41 | kJ/mol | Joback Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.474 | Crippen Calculated Property | |
| McVol | 238.370 | ml/mol | McGowan Calculated Property |
| Inp | [1961.00; 1961.00] |
|
|
| Inp | 1961.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Tboil | 566.15 | K | Relay (1.0) Calculated Property |
| Tfus | 283.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 | [668.65; 766.06] | J/mol×K | [662.52; 850.76] |
|
| Cp,gas | 668.65 | J/mol×K | 662.52 | Joback Calculated Property |
| Cp,gas | 687.18 | J/mol×K | 693.89 | Joback Calculated Property |
| Cp,gas | 704.74 | J/mol×K | 725.27 | Joback Calculated Property |
| Cp,gas | 721.36 | J/mol×K | 756.64 | Joback Calculated Property |
| Cp,gas | 737.10 | J/mol×K | 788.01 | Joback Calculated Property |
| Cp,gas | 751.99 | J/mol×K | 819.38 | Joback Calculated Property |
| Cp,gas | 766.06 | J/mol×K | 850.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxyllic acid, tridec-2-ynyl 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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