- InChI
- InChI=1S/C20H22O5/c1-13-5-7-15(3)17(9-13)24-19(21)11-23-12-20(22)25-18-10-14(2)6-8-16(18)4/h5-10H,11-12H2,1-4H3
- InChI Key
- ZPSTZMJWJCDNPU-UHFFFAOYSA-N
- Formula
- C20H22O5
- SMILES
-
Cc1ccc(C)c(OC(=O)COCC(=O)Oc2cc
(C)ccc2C)c1 - Molecular Weight1
- 342.39
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -762.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.01 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 3.448 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Inp | [3179.00; 3179.00] |
|
|
| Inp | 3179.00 | NIST | |
| Inp | 3179.00 | NIST | |
| Tboil | 668.67 | K | Relay (1.0) Calculated Property |
| Tc | 920.05 | K | Relay (1.0) Calculated Property |
| Tfus | 366.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [795.38; 854.63] | J/mol×K | [869.34; 1090.60] |
|
| Cp,gas | 795.38 | J/mol×K | 869.34 | Joback Calculated Property |
| Cp,gas | 808.87 | J/mol×K | 906.22 | Joback Calculated Property |
| Cp,gas | 820.91 | J/mol×K | 943.09 | Joback Calculated Property |
| Cp,gas | 831.50 | J/mol×K | 979.97 | Joback Calculated Property |
| Cp,gas | 840.65 | J/mol×K | 1016.85 | Joback Calculated Property |
| Cp,gas | 848.36 | J/mol×K | 1053.72 | Joback Calculated Property |
| Cp,gas | 854.63 | J/mol×K | 1090.60 | Joback Calculated Property |
| η | [0.0000337; 0.0003142] | Pa×s | [524.97; 869.34] |
|
| η | 0.0003142 | Pa×s | 524.97 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 582.37 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 639.76 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 697.15 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 754.55 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 811.94 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 869.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, di(2,5-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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