- InChI
- InChI=1S/C16H20O6/c1-4-5-10-21-15(17)8-9-16(18)22-12-6-7-13(19-2)14(11-12)20-3/h6-9,11H,4-5,10H2,1-3H3/b9-8-
- InChI Key
- PQYHMLFEDDSNHV-CMDGGOBGSA-N
- Formula
- C16H20O6
- SMILES
-
CCCCOC(=O)/C=C/C(=O)Oc1ccc(OC)
c(OC)c1 - Molecular Weight1
- 308.33
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -919.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.509 | Crippen Calculated Property | |
| McVol | 234.860 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | 2365.00 | NIST | |
| Tboil | 619.68 | K | Relay (1.0) Calculated Property |
| Tc | 830.13 | K | Relay (1.0) Calculated Property |
| Tfus | 344.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [677.41; 744.15] | J/mol×K | [803.70; 1010.69] | 
|
| Cp,gas | 677.41 | J/mol×K | 803.70 | Joback Calculated Property |
| Cp,gas | 691.14 | J/mol×K | 838.20 | Joback Calculated Property |
| Cp,gas | 703.85 | J/mol×K | 872.70 | Joback Calculated Property |
| Cp,gas | 715.51 | J/mol×K | 907.20 | Joback Calculated Property |
| Cp,gas | 726.11 | J/mol×K | 941.70 | Joback Calculated Property |
| Cp,gas | 735.66 | J/mol×K | 976.19 | Joback Calculated Property |
| Cp,gas | 744.15 | J/mol×K | 1010.69 | Joback Calculated Property |
| η | [0.0000474; 0.0003460] | Pa×s | [505.24; 803.70] |
|
| η | 0.0003460 | Pa×s | 505.24 | Joback Calculated Property |
| η | 0.0002141 | Pa×s | 554.98 | Joback Calculated Property |
| η | 0.0001434 | Pa×s | 604.73 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 654.47 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 704.21 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 753.96 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 803.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 3,4-dimethoxyphenyl ester.
Sources
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