- InChI
- InChI=1S/C18H15ClO6/c1-22-14-7-4-8-15(23-2)18(14)25-17(21)10-9-16(20)24-13-6-3-5-12(19)11-13/h3-11H,1-2H3/b10-9+
- InChI Key
- WFSYBIHBIQZNBT-MDZDMXLPSA-N
- Formula
- C18H15ClO6
- SMILES
-
COc1cccc(OC)c1OC(=O)C=CC(=O)Oc
1cccc(Cl)c1 - Molecular Weight1
- 362.76
- 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° | -312.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 3.424 | Crippen Calculated Property | |
| McVol | 251.520 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [2730.00; 2730.00] |
|
|
| Inp | 2730.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Tboil | 918.55 | K | Joback Calculated Property |
| Tc | 1154.65 | K | Joback Calculated Property |
| Tfus | 596.64 | K | Joback Calculated Property |
| Vc | 0.941 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.32; 753.65] | J/mol×K | [918.55; 1154.65] |
|
| Cp,gas | 711.32 | J/mol×K | 918.55 | Joback Calculated Property |
| Cp,gas | 721.81 | J/mol×K | 957.90 | Joback Calculated Property |
| Cp,gas | 730.93 | J/mol×K | 997.25 | Joback Calculated Property |
| Cp,gas | 738.68 | J/mol×K | 1036.60 | Joback Calculated Property |
| Cp,gas | 745.05 | J/mol×K | 1075.95 | Joback Calculated Property |
| Cp,gas | 750.04 | J/mol×K | 1115.30 | Joback Calculated Property |
| Cp,gas | 753.65 | J/mol×K | 1154.65 | Joback Calculated Property |
| η | [0.0000328; 0.0001963] | Pa×s | [596.64; 918.55] |
|
| η | 0.0001963 | Pa×s | 596.64 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 650.29 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 703.94 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 757.60 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 811.25 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 864.90 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 918.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 3-chlorophenyl ester.
Sources
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