- InChI
- InChI=1S/C17H22O6/c1-11(2)12(3)22-15(18)9-10-16(19)23-17-13(20-4)7-6-8-14(17)21-5/h6-12H,1-5H3/b10-9+
- InChI Key
- HHMNGYFMAWSUTA-MDZDMXLPSA-N
- Formula
- C17H22O6
- SMILES
-
COc1cccc(OC)c1OC(=O)C=CC(=O)OC
(C)C(C)C - Molecular Weight1
- 322.35
- 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° | -417.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [2267.00; 2267.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Tboil | 825.70 | K | Joback Calculated Property |
| Tc | 1036.73 | K | Joback Calculated Property |
| Tfus | 486.51 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.91; 803.13] | J/mol×K | [825.70; 1036.73] |
|
| Cp,gas | 734.91 | J/mol×K | 825.70 | Joback Calculated Property |
| Cp,gas | 749.21 | J/mol×K | 860.87 | Joback Calculated Property |
| Cp,gas | 762.34 | J/mol×K | 896.04 | Joback Calculated Property |
| Cp,gas | 774.30 | J/mol×K | 931.22 | Joback Calculated Property |
| Cp,gas | 785.09 | J/mol×K | 966.39 | Joback Calculated Property |
| Cp,gas | 794.70 | J/mol×K | 1001.56 | Joback Calculated Property |
| Cp,gas | 803.13 | J/mol×K | 1036.73 | Joback Calculated Property |
| η | [0.0000349; 0.0003950] | Pa×s | [486.51; 825.70] |
|
| η | 0.0003950 | Pa×s | 486.51 | Joback Calculated Property |
| η | 0.0002135 | Pa×s | 543.04 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 599.57 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 656.11 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 712.64 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 769.17 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 825.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 3-methylbut-2-yl ester.
Sources
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