- InChI
- InChI=1S/C20H38O4/c1-8-10-17(15(2)3)24-19(22)12-9-11-18(21)23-14-16(4)13-20(5,6)7/h15-17H,8-14H2,1-7H3
- InChI Key
- UGESDFFYQZYVRC-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCC(C)CC(C)
(C)C)C(C)C - Molecular Weight1
- 342.52
- 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 | -1122.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.54 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.140 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Inp | [2121.00; 2121.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 603.96 | K | Relay (1.0) Calculated Property |
| Tc | 764.03 | K | Relay (1.0) Calculated Property |
| Tfus | 248.35 | 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 | [460.03; 1070.45] | 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 | 6.00700e+00 | |||
| Coefficient B | 1.93784e+00 | |||
| Coefficient C | -1.05640e-03 | |||
| Coefficient D | 1.83000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 460.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 567.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 663.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 749.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 824.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 890.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 947.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 996.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1036.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1070.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039172; 0.0000518] | Pa×s | [357.24; 667.18] |
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 | -1.48557e+01 | |||
| Coefficient B | 3.32708e+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. | 357.24 | |||
| Temperature range, max. | 667.18 | |||
| η | 0.0039172 | Pa×s | 357.24 | Calculated Property |
| η | 0.0017272 | Pa×s | 391.68 | Calculated Property |
| η | 0.0008694 | Pa×s | 426.12 | Calculated Property |
| η | 0.0004849 | Pa×s | 460.55 | Calculated Property |
| η | 0.0002933 | Pa×s | 494.99 | Calculated Property |
| η | 0.0001895 | Pa×s | 529.43 | Calculated Property |
| η | 0.0001291 | Pa×s | 563.87 | Calculated Property |
| η | 0.0000919 | Pa×s | 598.30 | Calculated Property |
| η | 0.0000679 | Pa×s | 632.74 | Calculated Property |
| η | 0.0000518 | Pa×s | 667.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylhex-3-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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