- InChI
- InChI=1S/C17H24O5/c1-5-11-21-15(18)17(6-2,7-3)16(19)22-14-10-8-9-13(12-14)20-4/h8-10,12H,5-7,11H2,1-4H3
- InChI Key
- VRJIJRMCYRNKQN-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1cccc
(OC)c1 - Molecular Weight1
- 308.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 35.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.360 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Inp | 2072.00 | NIST | |
| Tboil | 613.76 | K | Relay (1.0) Calculated Property |
| Tfus | 313.83 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [723.10; 800.25] | J/mol×K | [755.85; 959.07] | 
|
| Cp,gas | 723.10 | J/mol×K | 755.85 | Joback Calculated Property |
| Cp,gas | 738.83 | J/mol×K | 789.72 | Joback Calculated Property |
| Cp,gas | 753.38 | J/mol×K | 823.59 | Joback Calculated Property |
| Cp,gas | 766.77 | J/mol×K | 857.46 | Joback Calculated Property |
| Cp,gas | 779.03 | J/mol×K | 891.33 | Joback Calculated Property |
| Cp,gas | 790.19 | J/mol×K | 925.20 | Joback Calculated Property |
| Cp,gas | 800.25 | J/mol×K | 959.07 | Joback Calculated Property |
| η | [0.0000402; 0.0008485] | Pa×s | [429.60; 755.85] |
|
| η | 0.0008485 | Pa×s | 429.60 | Joback Calculated Property |
| η | 0.0003836 | Pa×s | 483.98 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 538.35 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 592.72 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 647.10 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 701.47 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 755.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-methoxyphenyl propyl 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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