- InChI
- InChI=1S/C17H13ClO5/c1-21-14-7-2-3-8-15(14)23-17(20)10-9-16(19)22-13-6-4-5-12(18)11-13/h2-11H,1H3/b10-9+
- InChI Key
- QHDKTLRSSROPPF-MDZDMXLPSA-N
- Formula
- C17H13ClO5
- SMILES
-
COc1ccccc1OC(=O)C=CC(=O)Oc1ccc
c(Cl)c1 - Molecular Weight1
- 332.74
- 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° | -206.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.416 | Crippen Calculated Property | |
| McVol | 231.560 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [2524.00; 2524.00] |
|
|
| Inp | 2524.00 | NIST | |
| Inp | 2524.00 | NIST | |
| Tboil | 868.27 | K | Joback Calculated Property |
| Tc | 1108.40 | K | Joback Calculated Property |
| Tfus | 550.62 | K | Joback Calculated Property |
| Vc | 0.867 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.22; 681.48] | J/mol×K | [868.27; 1108.40] |
|
| Cp,gas | 632.22 | J/mol×K | 868.27 | Joback Calculated Property |
| Cp,gas | 643.41 | J/mol×K | 908.29 | Joback Calculated Property |
| Cp,gas | 653.38 | J/mol×K | 948.31 | Joback Calculated Property |
| Cp,gas | 662.14 | J/mol×K | 988.34 | Joback Calculated Property |
| Cp,gas | 669.73 | J/mol×K | 1028.36 | Joback Calculated Property |
| Cp,gas | 676.16 | J/mol×K | 1068.38 | Joback Calculated Property |
| Cp,gas | 681.48 | J/mol×K | 1108.40 | Joback Calculated Property |
| η | [0.0000492; 0.0003341] | Pa×s | [550.62; 868.27] |
|
| η | 0.0003341 | Pa×s | 550.62 | Joback Calculated Property |
| η | 0.0002111 | Pa×s | 603.56 | Joback Calculated Property |
| η | 0.0001436 | Pa×s | 656.50 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 709.44 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 762.39 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 815.33 | Joback Calculated Property |
| η | 0.0000492 | Pa×s | 868.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methoxyphenyl 3-chlorophenyl ester.
Sources
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