- InChI
- InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h10-13H,3-9,14H2,1-2H3/b11-10+,13-12-
- InChI Key
- UQEHWMHLQKAMSZ-MRBUWEIXSA-N
- Formula
- C15H26O2
- SMILES
- CCCCCCCC=CC=CC(=O)OCCC
- Molecular Weight1
- 238.37
- 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).
- Pc : Critical Pressure (kPa).
- Ip : 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 | -499.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1539.08 | kPa | Joback Calculated Property |
| Ip | [1917.00; 1917.00] |
|
|
| Ip | 1917.00 | NIST | |
| Ip | 1917.00 | NIST | |
| Tboil | 542.51 | K | Relay (1.0) Calculated Property |
| Tc | 724.03 | K | Relay (1.0) Calculated Property |
| Tfus | 285.49 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [312.02; 740.14] | 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 | -1.37020e+01 | |||
| Coefficient B | 1.41404e+00 | |||
| Coefficient C | -8.65200e-04 | |||
| Coefficient D | 2.05000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 312.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 387.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 454.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 513.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 565.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 610.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 650.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 684.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 714.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 740.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037152; 0.0001313] | Pa×s | [290.98; 550.06] |
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 | -1.26922e+01 | |||
| Coefficient B | 2.06504e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 290.98 | |||
| Temperature range, max. | 550.06 | |||
| η | 0.0037152 | Pa×s | 290.98 | Calculated Property |
| η | 0.0019612 | Pa×s | 319.77 | Calculated Property |
| η | 0.0011505 | Pa×s | 348.55 | Calculated Property |
| η | 0.0007321 | Pa×s | 377.34 | Calculated Property |
| η | 0.0004967 | Pa×s | 406.13 | Calculated Property |
| η | 0.0003548 | Pa×s | 434.92 | Calculated Property |
| η | 0.0002642 | Pa×s | 463.70 | Calculated Property |
| η | 0.0002037 | Pa×s | 492.49 | Calculated Property |
| η | 0.0001616 | Pa×s | 521.28 | Calculated Property |
| η | 0.0001313 | Pa×s | 550.06 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl (Z)-2,(E)-6-dodecadienoate.
Sources
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