- InChI
- InChI=1S/C16H20O6/c1-11(2)10-21-15(17)7-8-16(18)22-12-5-6-13(19-3)14(9-12)20-4/h5-9,11H,10H2,1-4H3/b8-7+
- InChI Key
- IBYMUVVMUQFVHS-BQYQJAHWSA-N
- Formula
- C16H20O6
- SMILES
-
COc1ccc(OC(=O)C=CC(=O)OCC(C)C)
cc1OC - Molecular Weight1
- 308.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -423.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 1834.11 | kPa | Joback Calculated Property |
| Inp | 2314.00 | NIST | |
| Tboil | 803.26 | K | Joback Calculated Property |
| Tc | 1012.94 | K | Joback Calculated Property |
| Tfus | 490.24 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.98; 745.17] | J/mol×K | [803.26; 1012.94] | 
|
| Cp,gas | 677.98 | J/mol×K | 803.26 | Joback Calculated Property |
| Cp,gas | 691.88 | J/mol×K | 838.21 | Joback Calculated Property |
| Cp,gas | 704.72 | J/mol×K | 873.15 | Joback Calculated Property |
| Cp,gas | 716.48 | J/mol×K | 908.10 | Joback Calculated Property |
| Cp,gas | 727.14 | J/mol×K | 943.05 | Joback Calculated Property |
| Cp,gas | 736.71 | J/mol×K | 977.99 | Joback Calculated Property |
| Cp,gas | 745.17 | J/mol×K | 1012.94 | Joback Calculated Property |
| η | [0.0000435; 0.0003850] | Pa×s | [490.24; 803.26] |
|
| η | 0.0003850 | Pa×s | 490.24 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 542.41 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 594.58 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 646.75 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 698.92 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 751.09 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 803.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl isobutyl ester.
Sources
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