- InChI
- InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-14-18-16(17)15-12-11-13-15/h9-10,15H,2-8,11-14H2,1H3/b10-9+
- InChI Key
- SNBOCETUQHKRBT-MDZDMXLPSA-N
- Formula
- C16H28O2
- SMILES
- CCCCCCCCC=CCOC(=O)C1CCC1
- 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).
- 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° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.636 | Crippen Calculated Property | |
| McVol | 228.580 | ml/mol | McGowan Calculated Property |
| Inp | [1814.00; 1814.00] |
|
|
| Inp | 1814.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Tboil | 567.66 | K | Relay (1.0) Calculated Property |
| Tc | 780.04 | K | Relay (1.0) Calculated Property |
| Tfus | 249.10 | 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, 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 | [636.12; 735.37] | J/mol×K | [639.07; 823.16] |
|
| Cp,gas | 636.12 | J/mol×K | 639.07 | Joback Calculated Property |
| Cp,gas | 655.02 | J/mol×K | 669.75 | Joback Calculated Property |
| Cp,gas | 672.92 | J/mol×K | 700.43 | Joback Calculated Property |
| Cp,gas | 689.86 | J/mol×K | 731.11 | Joback Calculated Property |
| Cp,gas | 705.89 | J/mol×K | 761.79 | Joback Calculated Property |
| Cp,gas | 721.05 | J/mol×K | 792.48 | Joback Calculated Property |
| Cp,gas | 735.37 | J/mol×K | 823.16 | Joback Calculated Property |
| η | [0.0001782; 0.0032457] | Pa×s | [321.75; 639.07] |
|
| η | 0.0032457 | Pa×s | 321.75 | Joback Calculated Property |
| η | 0.0014223 | Pa×s | 374.64 | Joback Calculated Property |
| η | 0.0007644 | Pa×s | 427.52 | Joback Calculated Property |
| η | 0.0004710 | Pa×s | 480.41 | Joback Calculated Property |
| η | 0.0003195 | Pa×s | 533.30 | Joback Calculated Property |
| η | 0.0002324 | Pa×s | 586.18 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 639.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, undec-2-enyl 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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