- InChI
- InChI=1S/C14H26O3/c1-10(2)9-11(3)17-14(15)12-5-7-13(16-4)8-6-12/h10-13H,5-9H2,1-4H3
- InChI Key
- WZFNGOZLQHGJCK-UHFFFAOYSA-N
- Formula
- C14H26O3
- SMILES
- COC1CCC(C(=O)OC(C)CC(C)C)CC1
- Molecular Weight1
- 242.35
- 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 | -715.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.09 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.169 | Crippen Calculated Property | |
| McVol | 210.570 | ml/mol | McGowan Calculated Property |
| Inp | [1642.00; 1642.00] |
|
|
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 549.26 | 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 | [297.73; 761.02] | 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 | -2.19590e+01 | |||
| Coefficient B | 1.32328e+00 | |||
| Coefficient C | -5.64200e-04 | |||
| Coefficient D | 2.39000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 376.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 448.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 513.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 571.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 622.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 667.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 705.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 736.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 761.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059885; 0.0001548] | Pa×s | [285.24; 568.49] |
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 | -1.24546e+01 | |||
| Coefficient B | 2.09271e+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. | 285.24 | |||
| Temperature range, max. | 568.49 | |||
| η | 0.0059885 | Pa×s | 285.24 | Calculated Property |
| η | 0.0028887 | Pa×s | 316.71 | Calculated Property |
| η | 0.0015897 | Pa×s | 348.18 | Calculated Property |
| η | 0.0009659 | Pa×s | 379.66 | Calculated Property |
| η | 0.0006334 | Pa×s | 411.13 | Calculated Property |
| η | 0.0004411 | Pa×s | 442.60 | Calculated Property |
| η | 0.0003222 | Pa×s | 474.07 | Calculated Property |
| η | 0.0002448 | Pa×s | 505.54 | Calculated Property |
| η | 0.0001921 | Pa×s | 537.01 | Calculated Property |
| η | 0.0001548 | Pa×s | 568.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, 4-methyl-2-pentyl 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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