- InChI
- InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-18(19)17-14-13-15-17/h17H,2-10,13-16H2,1H3
- InChI Key
- OYRRXIIIFQRANS-UHFFFAOYSA-N
- Formula
- C18H30O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)C1CCC1
- Molecular Weight1
- 278.43
- 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 | -413.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.90 | kJ/mol | Joback Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.864 | Crippen Calculated Property | |
| McVol | 252.460 | ml/mol | McGowan Calculated Property |
| Inp | [2050.00; 2050.00] |
|
|
| Inp | 2050.00 | NIST | |
| Inp | 2050.00 | NIST | |
| Tboil | 582.66 | K | Relay (1.0) Calculated Property |
| Tfus | 283.78 | 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 | [727.90; 829.73] | J/mol×K | [689.67; 881.32] |
|
| Cp,gas | 727.90 | J/mol×K | 689.67 | Joback Calculated Property |
| Cp,gas | 747.41 | J/mol×K | 721.61 | Joback Calculated Property |
| Cp,gas | 765.85 | J/mol×K | 753.55 | Joback Calculated Property |
| Cp,gas | 783.26 | J/mol×K | 785.49 | Joback Calculated Property |
| Cp,gas | 799.69 | J/mol×K | 817.44 | Joback Calculated Property |
| Cp,gas | 815.16 | J/mol×K | 849.38 | Joback Calculated Property |
| Cp,gas | 829.73 | J/mol×K | 881.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic 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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