- InChI
- InChI=1S/C16H9Cl3O4/c17-10-2-1-3-12(8-10)22-15(20)6-7-16(21)23-14-9-11(18)4-5-13(14)19/h1-9H/b7-6+
- InChI Key
- XEPNHJDMYDWNFZ-VOTSOKGWSA-N
- Formula
- C16H9Cl3O4
- SMILES
-
O=C(C=CC(=O)Oc1cc(Cl)ccc1Cl)Oc
1cccc(Cl)c1 - Molecular Weight1
- 371.60
- 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° | -143.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.714 | Crippen Calculated Property | |
| McVol | 236.080 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Inp | [2639.00; 2639.00] |
|
|
| Inp | 2639.00 | NIST | |
| Inp | 2639.00 | NIST | |
| Tboil | 902.81 | K | Joback Calculated Property |
| Tc | 1154.56 | K | Joback Calculated Property |
| Tfus | 589.48 | K | Joback Calculated Property |
| Vc | 0.890 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.02; 626.94] | J/mol×K | [902.81; 1154.56] |
|
| Cp,gas | 589.02 | J/mol×K | 902.81 | Joback Calculated Property |
| Cp,gas | 597.86 | J/mol×K | 944.77 | Joback Calculated Property |
| Cp,gas | 605.64 | J/mol×K | 986.73 | Joback Calculated Property |
| Cp,gas | 612.39 | J/mol×K | 1028.69 | Joback Calculated Property |
| Cp,gas | 618.16 | J/mol×K | 1070.65 | Joback Calculated Property |
| Cp,gas | 622.99 | J/mol×K | 1112.60 | Joback Calculated Property |
| Cp,gas | 626.94 | J/mol×K | 1154.56 | Joback Calculated Property |
| η | [0.0000577; 0.0003288] | Pa×s | [589.48; 902.81] |
|
| η | 0.0003288 | Pa×s | 589.48 | Joback Calculated Property |
| η | 0.0002186 | Pa×s | 641.70 | Joback Calculated Property |
| η | 0.0001545 | Pa×s | 693.92 | Joback Calculated Property |
| η | 0.0001147 | Pa×s | 746.14 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 798.37 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 850.59 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 902.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,5-dichlorophenyl 3-chlorophenyl ester.
Sources
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