- InChI
- InChI=1S/C25H46O4/c1-4-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-21-25(27)29-23(6-3)19-16-8-5-2/h15,17,23H,4-14,16,18-22H2,1-3H3/b17-15+
- InChI Key
- GUMIPTYVMUXQNF-BMRADRMJSA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)OC(
CC)CCCCC - Molecular Weight1
- 410.63
- 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° | 65.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.299 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Inp | [2695.00; 2695.00] |
|
|
| Inp | 2695.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Tboil | 644.95 | K | Relay (1.0) Calculated Property |
| Tc | 824.32 | K | Relay (1.0) Calculated Property |
| Tfus | 251.01 | 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 | [554.18; 1295.28] | 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 | 1.51170e+01 | |||
| Coefficient B | 2.29516e+00 | |||
| Coefficient C | -1.23400e-03 | |||
| Coefficient D | 2.19000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 554.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 682.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 797.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 900.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 991.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1071.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1140.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1201.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1252.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1295.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008904; 0.0000295] | Pa×s | [436.09; 764.59] |
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 | -1.49533e+01 | |||
| Coefficient B | 3.45794e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 436.09 | |||
| Temperature range, max. | 764.59 | |||
| η | 0.0008904 | Pa×s | 436.09 | Calculated Property |
| η | 0.0004826 | Pa×s | 472.59 | Calculated Property |
| η | 0.0002856 | Pa×s | 509.09 | Calculated Property |
| η | 0.0001813 | Pa×s | 545.59 | Calculated Property |
| η | 0.0001218 | Pa×s | 582.09 | Calculated Property |
| η | 0.0000858 | Pa×s | 618.59 | Calculated Property |
| η | 0.0000629 | Pa×s | 655.09 | Calculated Property |
| η | 0.0000476 | Pa×s | 691.59 | Calculated Property |
| η | 0.0000370 | Pa×s | 728.09 | Calculated Property |
| η | 0.0000295 | Pa×s | 764.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 3-octyl 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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