- InChI
- InChI=1S/C17H20O6/c1-12(2)10-11-22-15(18)8-9-16(19)23-17-13(20-3)6-5-7-14(17)21-4/h5-10H,11H2,1-4H3/b9-8+
- InChI Key
- BTVLEQBHNAPDFI-CMDGGOBGSA-N
- Formula
- C17H20O6
- SMILES
-
COc1cccc(OC)c1OC(=O)C=CC(=O)OC
C=C(C)C - Molecular Weight1
- 320.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -340.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 244.650 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | 2385.00 | NIST | |
| Tboil | 830.62 | K | Joback Calculated Property |
| Tc | 1044.20 | K | Joback Calculated Property |
| Tfus | 497.47 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.97; 772.94] | J/mol×K | [830.62; 1044.20] | 
|
| Cp,gas | 706.97 | J/mol×K | 830.62 | Joback Calculated Property |
| Cp,gas | 720.59 | J/mol×K | 866.22 | Joback Calculated Property |
| Cp,gas | 733.16 | J/mol×K | 901.81 | Joback Calculated Property |
| Cp,gas | 744.67 | J/mol×K | 937.41 | Joback Calculated Property |
| Cp,gas | 755.13 | J/mol×K | 973.01 | Joback Calculated Property |
| Cp,gas | 764.55 | J/mol×K | 1008.60 | Joback Calculated Property |
| Cp,gas | 772.94 | J/mol×K | 1044.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-en-1-yl ester.
Sources
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