- InChI
- InChI=1S/C17H12Cl2O5/c1-22-12-6-2-3-7-13(12)23-15(20)9-10-16(21)24-14-8-4-5-11(18)17(14)19/h2-10H,1H3/b10-9+
- InChI Key
- SQRPMTQHOWJLQM-MDZDMXLPSA-N
- Formula
- C17H12Cl2O5
- SMILES
-
COc1ccccc1OC(=O)C=CC(=O)Oc1ccc
c(Cl)c1Cl - Molecular Weight1
- 367.18
- 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° | -228.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.069 | Crippen Calculated Property | |
| McVol | 243.800 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [2743.00; 2743.00] |
|
|
| Inp | 2743.00 | NIST | |
| Inp | 2743.00 | NIST | |
| Tboil | 910.68 | K | Joback Calculated Property |
| Tc | 1154.00 | K | Joback Calculated Property |
| Tfus | 593.06 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.91; 690.25] | J/mol×K | [910.68; 1154.00] |
|
| Cp,gas | 649.91 | J/mol×K | 910.68 | Joback Calculated Property |
| Cp,gas | 659.63 | J/mol×K | 951.23 | Joback Calculated Property |
| Cp,gas | 668.13 | J/mol×K | 991.79 | Joback Calculated Property |
| Cp,gas | 675.42 | J/mol×K | 1032.34 | Joback Calculated Property |
| Cp,gas | 681.52 | J/mol×K | 1072.89 | Joback Calculated Property |
| Cp,gas | 686.46 | J/mol×K | 1113.45 | Joback Calculated Property |
| Cp,gas | 690.25 | J/mol×K | 1154.00 | Joback Calculated Property |
| η | [0.0000435; 0.0002541] | Pa×s | [593.06; 910.68] |
|
| η | 0.0002541 | Pa×s | 593.06 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 646.00 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 698.93 | Joback Calculated Property |
| η | 0.0000872 | Pa×s | 751.87 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 804.81 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 857.74 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 910.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methoxyphenyl 2,3-dichlorophenyl ester.
Sources
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