- InChI
- InChI=1S/C17H30O2/c1-4-6-7-8-9-10-11-12-13-14-15-19-17(18)16(3)5-2/h5,13-14H,4,6-12,15H2,1-3H3/b14-13+,16-5+
- InChI Key
- QAZZZLZNKXNKSI-NSIMVMACSA-N
- Formula
- C17H30O2
- SMILES
- CC=C(C)C(=O)OCC=CCCCCCCCCC
- Molecular Weight1
- 266.42
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 |
|---|---|---|---|
| ΔfusH° | 43.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Inp | 1930.00 | NIST | |
| Tboil | 561.04 | K | Relay (1.0) Calculated Property |
| Tc | 752.87 | K | Relay (1.0) Calculated Property |
| Tfus | 244.39 | 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, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.60; 843.05] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.52110e+01 | |||
| Coefficient B | 1.60396e+00 | |||
| Coefficient C | -9.76300e-04 | |||
| Coefficient D | 2.30600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 354.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 440.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 516.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 583.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 642.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 694.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 739.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 779.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 813.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 843.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Dodec-2-enyl (E)-2-methylbut-2-enoate.
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
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