- InChI
- InChI=1S/C22H26O4/c1-15-9-7-11-19(17(15)3)25-21(23)13-5-6-14-22(24)26-20-12-8-10-16(2)18(20)4/h7-12H,5-6,13-14H2,1-4H3
- InChI Key
- HOAZLBPACVBNRI-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
Cc1cccc(OC(=O)CCCCC(=O)Oc2cccc
(C)c2C)c1C - Molecular Weight1
- 354.45
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -679.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.00 | kJ/mol | Joback Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.992 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Inp | 2862.00 | NIST | |
| Tboil | 662.90 | K | Relay (1.0) Calculated Property |
| Tfus | 373.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [883.55; 948.18] | J/mol×K | [892.68; 1112.27] | 
|
| Cp,gas | 883.55 | J/mol×K | 892.68 | Joback Calculated Property |
| Cp,gas | 897.81 | J/mol×K | 929.28 | Joback Calculated Property |
| Cp,gas | 910.64 | J/mol×K | 965.88 | Joback Calculated Property |
| Cp,gas | 922.06 | J/mol×K | 1002.48 | Joback Calculated Property |
| Cp,gas | 932.11 | J/mol×K | 1039.07 | Joback Calculated Property |
| Cp,gas | 940.81 | J/mol×K | 1075.67 | Joback Calculated Property |
| Cp,gas | 948.18 | J/mol×K | 1112.27 | Joback Calculated Property |
| η | [0.0000340; 0.0003634] | Pa×s | [525.28; 892.68] |
|
| η | 0.0003634 | Pa×s | 525.28 | Joback Calculated Property |
| η | 0.0001993 | Pa×s | 586.51 | Joback Calculated Property |
| η | 0.0001224 | Pa×s | 647.75 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 708.98 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 770.21 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 831.45 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 892.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(2,3-dimethylphenyl) 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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