- InChI
- InChI=1S/C19H28O4/c1-14(2)7-6-10-22-18(20)8-5-9-19(21)23-17-12-15(3)11-16(4)13-17/h11-14H,5-10H2,1-4H3
- InChI Key
- VHGJGCDDBPBYTN-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
Cc1cc(C)cc(OC(=O)CCCC(=O)OCCCC
(C)C)c1 - Molecular Weight1
- 320.42
- 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).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -854.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.359 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 629.15 | K | Relay (1.0) Calculated Property |
| Tc | 829.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [388.75; 891.71] | 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 | 2.94460e+01 | |||
| Coefficient B | 1.50728e+00 | |||
| Coefficient C | -7.20920e-04 | |||
| Coefficient D | 7.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 388.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 475.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 554.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 625.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 687.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 742.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 790.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 831.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 864.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 891.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009906; 0.0000759] | Pa×s | [425.01; 689.26] |
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 | -1.36173e+01 | |||
| Coefficient B | 2.84764e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 425.01 | |||
| Temperature range, max. | 689.26 | |||
| η | 0.0009906 | Pa×s | 425.01 | Calculated Property |
| η | 0.0006425 | Pa×s | 454.37 | Calculated Property |
| η | 0.0004392 | Pa×s | 483.73 | Calculated Property |
| η | 0.0003136 | Pa×s | 513.09 | Calculated Property |
| η | 0.0002322 | Pa×s | 542.45 | Calculated Property |
| η | 0.0001774 | Pa×s | 571.82 | Calculated Property |
| η | 0.0001391 | Pa×s | 601.18 | Calculated Property |
| η | 0.0001115 | Pa×s | 630.54 | Calculated Property |
| η | 0.0000912 | Pa×s | 659.90 | Calculated Property |
| η | 0.0000759 | Pa×s | 689.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3,5-dimethylphenyl isohexyl 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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