- InChI
- InChI=1S/C18H32O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-17(19)18(2,3)4/h5-13,16H2,1-4H3
- InChI Key
- TWCYLXORKMQJIN-UHFFFAOYSA-N
- Formula
- C18H32O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)C(C)(C)C
- Molecular Weight1
- 280.45
- 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).
- 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 | -456.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.110 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Inp | [1865.00; 1865.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Tboil | 543.91 | K | Relay (1.0) Calculated Property |
| Tfus | 259.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [740.99; 840.97] | J/mol×K | [675.43; 860.40] |
|
| Cp,gas | 740.99 | J/mol×K | 675.43 | Joback Calculated Property |
| Cp,gas | 760.03 | J/mol×K | 706.26 | Joback Calculated Property |
| Cp,gas | 778.07 | J/mol×K | 737.09 | Joback Calculated Property |
| Cp,gas | 795.15 | J/mol×K | 767.92 | Joback Calculated Property |
| Cp,gas | 811.30 | J/mol×K | 798.75 | Joback Calculated Property |
| Cp,gas | 826.57 | J/mol×K | 829.57 | Joback Calculated Property |
| Cp,gas | 840.97 | J/mol×K | 860.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic 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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