- InChI
- InChI=1S/C25H38O5/c1-4-5-6-7-8-9-10-11-12-13-19-29-24(26)15-14-16-25(27)30-23-20-21(2)17-18-22(23)28-3/h12-13,17-18,20H,4-11,14-16,19H2,1-3H3/b13-12+
- InChI Key
- MWXJDLJMTODJMX-OUKQBFOZSA-N
- Formula
- C25H38O5
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1
cc(C)ccc1OC - Molecular Weight1
- 418.57
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 63.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.17 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.319 | Crippen Calculated Property | |
| McVol | 355.800 | ml/mol | McGowan Calculated Property |
| Inp | [3047.00; 3047.00] |
|
|
| Inp | 3047.00 | NIST | |
| Inp | 3047.00 | NIST | |
| Tboil | 683.99 | K | Relay (1.0) Calculated Property |
| Tc | 886.15 | K | Relay (1.0) Calculated Property |
| Tfus | 310.53 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.75; 1188.63] | 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 | 3.69920e+01 | |||
| Coefficient B | 2.02816e+00 | |||
| Coefficient C | -1.01692e-03 | |||
| Coefficient D | 1.40400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 517.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 633.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 831.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 914.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 987.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1050.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1105.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1151.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1188.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002576; 0.0000244] | Pa×s | [524.78; 815.28] |
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 | -1.48821e+01 | |||
| Coefficient B | 3.47311e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 524.78 | |||
| Temperature range, max. | 815.28 | |||
| η | 0.0002576 | Pa×s | 524.78 | Calculated Property |
| η | 0.0001756 | Pa×s | 557.06 | Calculated Property |
| η | 0.0001248 | Pa×s | 589.33 | Calculated Property |
| η | 0.0000919 | Pa×s | 621.61 | Calculated Property |
| η | 0.0000697 | Pa×s | 653.89 | Calculated Property |
| η | 0.0000543 | Pa×s | 686.17 | Calculated Property |
| η | 0.0000433 | Pa×s | 718.44 | Calculated Property |
| η | 0.0000352 | Pa×s | 750.72 | Calculated Property |
| η | 0.0000290 | Pa×s | 783.00 | Calculated Property |
| η | 0.0000244 | Pa×s | 815.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 5-methyl-2-methoxybenzyl 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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