- InChI
- InChI=1S/C25H44O4/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/h6,15,17,23H,3-5,7-14,16,18-22H2,1-2H3/b17-15+
- InChI Key
- HPQXRJVNRNVUPY-BMRADRMJSA-N
- Formula
- C25H44O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCCC(=O)OCC=C
CCCCCCCCC - Molecular Weight1
- 408.61
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 64.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.075 | Crippen Calculated Property | |
| McVol | 369.390 | ml/mol | McGowan Calculated Property |
| Inp | [2713.00; 2713.00] |
|
|
| Inp | 2713.00 | NIST | |
| Inp | 2713.00 | NIST | |
| Tboil | 659.65 | K | Relay (1.0) Calculated Property |
| Tc | 822.91 | K | Relay (1.0) Calculated Property |
| Tfus | 253.34 | 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 | [544.37; 1266.77] | 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 | 1.21260e+01 | |||
| Coefficient B | 2.27514e+00 | |||
| Coefficient C | -1.25690e-03 | |||
| Coefficient D | 2.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 544.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 670.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 782.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 883.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 971.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1049.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1117.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1175.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1225.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1266.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009031; 0.0000315] | Pa×s | [434.33; 761.50] |
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 | -1.48212e+01 | |||
| Coefficient B | 3.39278e+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. | 434.33 | |||
| Temperature range, max. | 761.50 | |||
| η | 0.0009031 | Pa×s | 434.33 | Calculated Property |
| η | 0.0004940 | Pa×s | 470.68 | Calculated Property |
| η | 0.0002946 | Pa×s | 507.03 | Calculated Property |
| η | 0.0001883 | Pa×s | 543.39 | Calculated Property |
| η | 0.0001273 | Pa×s | 579.74 | Calculated Property |
| η | 0.0000901 | Pa×s | 616.09 | Calculated Property |
| η | 0.0000663 | Pa×s | 652.44 | Calculated Property |
| η | 0.0000504 | Pa×s | 688.79 | Calculated Property |
| η | 0.0000394 | Pa×s | 725.14 | Calculated Property |
| η | 0.0000315 | Pa×s | 761.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, oct-1-en-3-yl dodec-2-en-1-yl 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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