- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.78; 823.78] | 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 | -2.49020e+01 | |||
| Coefficient B | 1.61488e+00 | |||
| Coefficient C | -1.00760e-03 | |||
| Coefficient D | 2.41400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 345.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 430.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 506.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 630.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 681.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 725.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 763.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 795.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 823.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042964; 0.0001288] | Pa×s | [309.75; 561.43] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32740e+01 | |||
| Coefficient B | 2.42350e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.75 | |||
| Temperature range, max. | 561.43 | |||
| η | 0.0042964 | Pa×s | 309.75 | Calculated Property |
| η | 0.0022477 | Pa×s | 337.71 | Calculated Property |
| η | 0.0012984 | Pa×s | 365.68 | Calculated Property |
| η | 0.0008108 | Pa×s | 393.64 | Calculated Property |
| η | 0.0005390 | Pa×s | 421.61 | Calculated Property |
| η | 0.0003770 | Pa×s | 449.57 | Calculated Property |
| η | 0.0002749 | Pa×s | 477.53 | Calculated Property |
| η | 0.0002076 | Pa×s | 505.50 | Calculated Property |
| η | 0.0001615 | Pa×s | 533.46 | Calculated Property |
| η | 0.0001288 | Pa×s | 561.43 | 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
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