- InChI
- InChI=1S/C21H24O6/c1-5-21(6-2,19(22)26-17-11-7-9-15(13-17)24-3)20(23)27-18-12-8-10-16(14-18)25-4/h7-14H,5-6H2,1-4H3
- InChI Key
- JYGDUBSIFOBSOT-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
CCC(CC)(C(=O)Oc1cccc(OC)c1)C(=
O)Oc1cccc(OC)c1 - Molecular Weight1
- 372.41
- 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).
- 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).
- 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 | -840.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.021 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Inp | 2668.00 | NIST | |
| Tboil | 675.52 | K | Relay (1.0) Calculated Property |
| Tc | 925.22 | K | Relay (1.0) Calculated Property |
| Tfus | 377.15 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, 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 | [883.22; 938.78] | J/mol×K | [901.45; 1126.58] | 
|
| Cp,gas | 883.22 | J/mol×K | 901.45 | Joback Calculated Property |
| Cp,gas | 896.33 | J/mol×K | 938.97 | Joback Calculated Property |
| Cp,gas | 907.86 | J/mol×K | 976.49 | Joback Calculated Property |
| Cp,gas | 917.84 | J/mol×K | 1014.01 | Joback Calculated Property |
| Cp,gas | 926.30 | J/mol×K | 1051.54 | Joback Calculated Property |
| Cp,gas | 933.27 | J/mol×K | 1089.06 | Joback Calculated Property |
| Cp,gas | 938.78 | J/mol×K | 1126.58 | Joback Calculated Property |
| η | [0.0000164; 0.0002343] | Pa×s | [535.85; 901.45] |
|
| η | 0.0002343 | Pa×s | 535.85 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 596.78 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 657.72 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 718.65 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 779.58 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 840.52 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 901.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(3-methoxyphenyl) 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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