- 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.
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [806.14; 887.09] | J/mol×K | [786.96; 984.66] |
|
| Cp,gas | 806.14 | J/mol×K | 786.96 | Joback Calculated Property |
| Cp,gas | 822.47 | J/mol×K | 819.91 | Joback Calculated Property |
| Cp,gas | 837.65 | J/mol×K | 852.86 | Joback Calculated Property |
| Cp,gas | 851.69 | J/mol×K | 885.81 | Joback Calculated Property |
| Cp,gas | 864.59 | J/mol×K | 918.76 | Joback Calculated Property |
| Cp,gas | 876.39 | J/mol×K | 951.71 | Joback Calculated Property |
| Cp,gas | 887.09 | J/mol×K | 984.66 | Joback Calculated Property |
| η | [0.0000455; 0.0009906] | Pa×s | [425.01; 786.96] |
|
| η | 0.0009906 | Pa×s | 425.01 | Joback Calculated Property |
| η | 0.0004308 | Pa×s | 485.34 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 545.66 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 605.99 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 666.31 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 726.63 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 786.96 | Joback 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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