- InChI
- InChI=1S/C17H30O4/c1-3-14(2)12-20-16(18)10-7-11-17(19)21-13-15-8-5-4-6-9-15/h14-15H,3-13H2,1-2H3
- InChI Key
- APBNWAGXYQNKOG-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
CCC(C)COC(=O)CCCC(=O)OCC1CCCCC
1 - Molecular Weight1
- 298.42
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -999.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.22 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 254.410 | ml/mol | McGowan Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 628.02 | 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 | [360.36; 898.21] | 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 | -2.90340e+01 | |||
| Coefficient B | 1.63724e+00 | |||
| Coefficient C | -7.96000e-04 | |||
| Coefficient D | 8.60000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 360.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 454.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 539.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 615.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 682.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 741.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 791.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 834.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 870.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 898.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034834; 0.0001033] | Pa×s | [358.39; 642.25] |
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 | -1.36195e+01 | |||
| Coefficient B | 2.85269e+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. | 358.39 | |||
| Temperature range, max. | 642.25 | |||
| η | 0.0034834 | Pa×s | 358.39 | Calculated Property |
| η | 0.0018297 | Pa×s | 389.93 | Calculated Property |
| η | 0.0010583 | Pa×s | 421.47 | Calculated Property |
| η | 0.0006606 | Pa×s | 453.01 | Calculated Property |
| η | 0.0004385 | Pa×s | 484.55 | Calculated Property |
| η | 0.0003060 | Pa×s | 516.09 | Calculated Property |
| η | 0.0002226 | Pa×s | 547.63 | Calculated Property |
| η | 0.0001676 | Pa×s | 579.17 | Calculated Property |
| η | 0.0001299 | Pa×s | 610.71 | Calculated Property |
| η | 0.0001033 | Pa×s | 642.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-methylbutyl 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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