- InChI
- InChI=1S/C20H36O4/c1-5-6-7-9-17(4)23-19(21)10-8-11-20(22)24-18-13-15(2)12-16(3)14-18/h15-18H,5-14H2,1-4H3
- InChI Key
- FNCTWSPYQAQULF-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC1CC(C
)CC(C)C1 - Molecular Weight1
- 340.50
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1089.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 296.680 | ml/mol | McGowan Calculated Property |
| Inp | [2205.00; 2205.00] |
|
|
| Inp | 2205.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Tboil | 618.82 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 | [428.53; 1066.30] | 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 | -1.98830e+01 | |||
| Coefficient B | 1.86928e+00 | |||
| Coefficient C | -8.48400e-04 | |||
| Coefficient D | 6.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 428.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 538.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 637.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 727.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 806.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 876.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 937.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 989.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1032.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1066.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021397; 0.0001054] | Pa×s | [383.72; 682.35] |
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 | -1.30266e+01 | |||
| Coefficient B | 2.63979e+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. | 383.72 | |||
| Temperature range, max. | 682.35 | |||
| η | 0.0021397 | Pa×s | 383.72 | Calculated Property |
| η | 0.0012375 | Pa×s | 416.90 | Calculated Property |
| η | 0.0007759 | Pa×s | 450.08 | Calculated Property |
| η | 0.0005187 | Pa×s | 483.26 | Calculated Property |
| η | 0.0003652 | Pa×s | 516.44 | Calculated Property |
| η | 0.0002682 | Pa×s | 549.63 | Calculated Property |
| η | 0.0002041 | Pa×s | 582.81 | Calculated Property |
| η | 0.0001599 | Pa×s | 615.99 | Calculated Property |
| η | 0.0001284 | Pa×s | 649.17 | Calculated Property |
| η | 0.0001054 | Pa×s | 682.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dimethylcyclohexyl hept-2-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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