- InChI
- InChI=1S/C16H30O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h12-13H,5-11,14H2,1-4H3/b13-12+
- InChI Key
- CUCZIHQHCUDPKZ-OUKQBFOZSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCC=CCOC(=O)C(C)(C)C
- Molecular Weight1
- 254.41
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | -618.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.883 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Inp | [1643.00; 1643.00] |
|
|
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Tboil | 528.29 | K | Relay (1.0) Calculated Property |
| Tc | 720.55 | K | Relay (1.0) Calculated Property |
| Tfus | 219.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [649.63; 746.68] | J/mol×K | [624.83; 802.04] |
|
| Cp,gas | 649.63 | J/mol×K | 624.83 | Joback Calculated Property |
| Cp,gas | 668.01 | J/mol×K | 654.36 | Joback Calculated Property |
| Cp,gas | 685.46 | J/mol×K | 683.90 | Joback Calculated Property |
| Cp,gas | 702.01 | J/mol×K | 713.43 | Joback Calculated Property |
| Cp,gas | 717.71 | J/mol×K | 742.97 | Joback Calculated Property |
| Cp,gas | 732.59 | J/mol×K | 772.50 | Joback Calculated Property |
| Cp,gas | 746.68 | J/mol×K | 802.04 | Joback Calculated Property |
| η | [0.0000831; 0.0042964] | Pa×s | [309.75; 624.83] |
|
| η | 0.0042964 | Pa×s | 309.75 | Joback Calculated Property |
| η | 0.0013821 | Pa×s | 362.26 | Joback Calculated Property |
| η | 0.0005925 | Pa×s | 414.78 | Joback Calculated Property |
| η | 0.0003073 | Pa×s | 467.29 | Joback Calculated Property |
| η | 0.0001820 | Pa×s | 519.80 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 572.32 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 624.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic 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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