- InChI
- InChI=1S/C15H18O6/c1-4-9-20-14(16)7-8-15(17)21-11-5-6-12(18-2)13(10-11)19-3/h5-8,10H,4,9H2,1-3H3/b8-7-
- InChI Key
- ZTJKSTVJDDCBPR-BQYQJAHWSA-N
- Formula
- C15H18O6
- SMILES
-
CCCOC(=O)/C=C/C(=O)Oc1ccc(OC)c
(OC)c1 - Molecular Weight1
- 294.30
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -902.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.119 | Crippen Calculated Property | |
| McVol | 220.770 | ml/mol | McGowan Calculated Property |
| Inp | 2253.00 | NIST | |
| Tboil | 613.23 | K | Relay (1.0) Calculated Property |
| Tfus | 356.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [612.99; 680.36] | J/mol×K | [744.88; 949.31] | 
|
| Cp,gas | 612.99 | J/mol×K | 744.88 | Joback Calculated Property |
| Cp,gas | 626.80 | J/mol×K | 778.95 | Joback Calculated Property |
| Cp,gas | 639.59 | J/mol×K | 813.02 | Joback Calculated Property |
| Cp,gas | 651.34 | J/mol×K | 847.09 | Joback Calculated Property |
| Cp,gas | 662.06 | J/mol×K | 881.16 | Joback Calculated Property |
| Cp,gas | 671.74 | J/mol×K | 915.23 | Joback Calculated Property |
| Cp,gas | 680.36 | J/mol×K | 949.31 | Joback Calculated Property |
| η | [0.0000424; 0.0005419] | Pa×s | [434.31; 744.88] |
|
| η | 0.0005419 | Pa×s | 434.31 | Joback Calculated Property |
| η | 0.0002827 | Pa×s | 486.07 | Joback Calculated Property |
| η | 0.0001672 | Pa×s | 537.83 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 589.60 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 641.36 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 693.12 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 744.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl 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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