- InChI
- InChI=1S/C16H7Cl5O4/c17-8-1-2-13(10(19)5-8)24-14(22)3-4-15(23)25-16-11(20)6-9(18)7-12(16)21/h1-7H/b4-3+
- InChI Key
- LMDUOJOQINADIB-ONEGZZNKSA-N
- Formula
- C16H7Cl5O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1C
l)Oc1ccc(Cl)cc1Cl - Molecular Weight1
- 440.49
- 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° | -186.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.27 | kJ/mol | Joback Calculated Property |
| log10WS | -7.03 | Crippen Calculated Property | |
| logPoct/wat | 6.021 | Crippen Calculated Property | |
| McVol | 260.560 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | [2974.00; 2974.00] |
|
|
| Inp | 2974.00 | NIST | |
| Inp | 2974.00 | NIST | |
| Tboil | 987.63 | K | Joback Calculated Property |
| Tc | 1245.05 | K | Joback Calculated Property |
| Tfus | 674.36 | K | Joback Calculated Property |
| Vc | 0.989 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.43; 639.02] | J/mol×K | [987.63; 1245.05] |
|
| Cp,gas | 616.43 | J/mol×K | 987.63 | Joback Calculated Property |
| Cp,gas | 622.68 | J/mol×K | 1030.53 | Joback Calculated Property |
| Cp,gas | 627.90 | J/mol×K | 1073.44 | Joback Calculated Property |
| Cp,gas | 632.10 | J/mol×K | 1116.34 | Joback Calculated Property |
| Cp,gas | 635.34 | J/mol×K | 1159.24 | Joback Calculated Property |
| Cp,gas | 637.63 | J/mol×K | 1202.15 | Joback Calculated Property |
| Cp,gas | 639.02 | J/mol×K | 1245.05 | Joback Calculated Property |
| η | [0.0000441; 0.0001984] | Pa×s | [674.36; 987.63] |
|
| η | 0.0001984 | Pa×s | 674.36 | Joback Calculated Property |
| η | 0.0001411 | Pa×s | 726.57 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 778.78 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 831.00 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 883.21 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 935.42 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 987.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 2,4,6-trichlorophenyl ester.
Sources
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