- InChI
- InChI=1S/C18H24O6/c1-13(2)6-5-11-23-17(19)9-10-18(20)24-14-7-8-15(21-3)16(12-14)22-4/h7-10,12-13H,5-6,11H2,1-4H3/b10-9+
- InChI Key
- WFFUTSPRGBPXKH-MDZDMXLPSA-N
- Formula
- C18H24O6
- SMILES
-
COc1ccc(OC(=O)C=CC(=O)OCCCC(C)
C)cc1OC - Molecular Weight1
- 336.38
- 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° | -406.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.145 | Crippen Calculated Property | |
| McVol | 263.040 | ml/mol | McGowan Calculated Property |
| Pc | 1565.99 | kPa | Joback Calculated Property |
| Inp | 2536.00 | NIST | |
| Tboil | 849.02 | K | Joback Calculated Property |
| Tc | 1057.00 | K | Joback Calculated Property |
| Tfus | 512.78 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.61; 859.81] | J/mol×K | [849.02; 1057.00] | 
|
| Cp,gas | 791.61 | J/mol×K | 849.02 | Joback Calculated Property |
| Cp,gas | 805.92 | J/mol×K | 883.68 | Joback Calculated Property |
| Cp,gas | 819.06 | J/mol×K | 918.35 | Joback Calculated Property |
| Cp,gas | 831.02 | J/mol×K | 953.01 | Joback Calculated Property |
| Cp,gas | 841.80 | J/mol×K | 987.67 | Joback Calculated Property |
| Cp,gas | 851.40 | J/mol×K | 1022.34 | Joback Calculated Property |
| Cp,gas | 859.81 | J/mol×K | 1057.00 | Joback Calculated Property |
| η | [0.0000331; 0.0003185] | Pa×s | [512.78; 849.02] |
|
| η | 0.0003185 | Pa×s | 512.78 | Joback Calculated Property |
| η | 0.0001814 | Pa×s | 568.82 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 624.86 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 680.90 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 736.94 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 792.98 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 849.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl isohexyl ester.
Sources
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