- InChI
- InChI=1S/C25H46O4/c1-6-7-8-9-10-11-12-13-14-15-19-28-23(26)17-16-18-24(27)29-21-22(2)20-25(3,4)5/h14-15,22H,6-13,16-21H2,1-5H3/b15-14+
- InChI Key
- QTVGSZSMUOEABJ-CCEZHUSRSA-N
- Formula
- C25H46O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)OCC
(C)CC(C)(C)C - Molecular Weight1
- 410.63
- 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).
- 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 | -1133.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.37 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.012 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Inp | [2706.00; 2706.00] |
|
|
| Inp | 2706.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Tboil | 649.79 | K | Relay (1.0) Calculated Property |
| Tc | 819.68 | K | Relay (1.0) Calculated Property |
| Tfus | 263.25 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, 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 | [552.72; 1296.74] | 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 | -9.35600e+00 | |||
| Coefficient B | 2.42100e+00 | |||
| Coefficient C | -1.40580e-03 | |||
| Coefficient D | 2.90900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 552.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 684.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 801.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 904.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 995.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1075.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1144.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1203.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1254.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1296.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008647; 0.0000242] | Pa×s | [438.51; 761.47] |
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 | -1.54873e+01 | |||
| Coefficient B | 3.69848e+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. | 438.51 | |||
| Temperature range, max. | 761.47 | |||
| η | 0.0008647 | Pa×s | 438.51 | Calculated Property |
| η | 0.0004569 | Pa×s | 474.39 | Calculated Property |
| η | 0.0002641 | Pa×s | 510.28 | Calculated Property |
| η | 0.0001640 | Pa×s | 546.16 | Calculated Property |
| η | 0.0001080 | Pa×s | 582.05 | Calculated Property |
| η | 0.0000747 | Pa×s | 617.93 | Calculated Property |
| η | 0.0000538 | Pa×s | 653.82 | Calculated Property |
| η | 0.0000401 | Pa×s | 689.70 | Calculated Property |
| η | 0.0000307 | Pa×s | 725.59 | Calculated Property |
| η | 0.0000242 | Pa×s | 761.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2,4,4-trimethylpentyl 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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