- InChI
- InChI=1S/C17H22O6/c1-4-5-6-11-22-16(18)9-10-17(19)23-13-7-8-14(20-2)15(12-13)21-3/h7-10,12H,4-6,11H2,1-3H3/b10-9+
- InChI Key
- ZPJSIRPMCHFOFI-MDZDMXLPSA-N
- Formula
- C17H22O6
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1ccc(OC)c
(OC)c1 - 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° | -412.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 2.899 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | [2475.00; 2475.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 826.58 | K | Joback Calculated Property |
| Tc | 1032.71 | K | Joback Calculated Property |
| Tfus | 516.51 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.80; 801.29] | J/mol×K | [826.58; 1032.71] |
|
| Cp,gas | 733.80 | J/mol×K | 826.58 | Joback Calculated Property |
| Cp,gas | 747.78 | J/mol×K | 860.94 | Joback Calculated Property |
| Cp,gas | 760.68 | J/mol×K | 895.29 | Joback Calculated Property |
| Cp,gas | 772.48 | J/mol×K | 929.65 | Joback Calculated Property |
| Cp,gas | 783.19 | J/mol×K | 964.00 | Joback Calculated Property |
| Cp,gas | 792.79 | J/mol×K | 998.36 | Joback Calculated Property |
| Cp,gas | 801.29 | J/mol×K | 1032.71 | Joback Calculated Property |
| η | [0.0000414; 0.0003165] | Pa×s | [516.51; 826.58] |
|
| η | 0.0003165 | Pa×s | 516.51 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 568.19 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 619.87 | Joback Calculated Property |
| η | 0.0000906 | Pa×s | 671.54 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 723.22 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 774.90 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 826.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,4-dimethoxyphenyl pentyl ester.
Sources
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