- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.53; 836.65] | 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 | 5.04120e+01 | |||
| Coefficient B | 1.33528e+00 | |||
| Coefficient C | -5.58240e-04 | |||
| Coefficient D | 9.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 373.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 453.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 526.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 591.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 649.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 701.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 745.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 782.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 813.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 836.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003142; 0.0000541] | Pa×s | [524.97; 763.42] |
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 | -1.36980e+01 | |||
| Coefficient B | 2.95697e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 524.97 | |||
| Temperature range, max. | 763.42 | |||
| η | 0.0003142 | Pa×s | 524.97 | Calculated Property |
| η | 0.0002397 | Pa×s | 551.46 | Calculated Property |
| η | 0.0001875 | Pa×s | 577.96 | Calculated Property |
| η | 0.0001498 | Pa×s | 604.45 | Calculated Property |
| η | 0.0001220 | Pa×s | 630.95 | Calculated Property |
| η | 0.0001010 | Pa×s | 657.44 | Calculated Property |
| η | 0.0000849 | Pa×s | 683.94 | Calculated Property |
| η | 0.0000722 | Pa×s | 710.43 | Calculated Property |
| η | 0.0000622 | Pa×s | 736.92 | Calculated Property |
| η | 0.0000541 | Pa×s | 763.42 | 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
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