- InChI
- InChI=1S/C16H8BrCl3O4/c17-9-1-3-11(4-2-9)23-14(21)5-6-15(22)24-16-12(19)7-10(18)8-13(16)20/h1-8H/b6-5+
- InChI Key
- DHNXVKLXNOPOQA-AATRIKPKSA-N
- Formula
- C16H8BrCl3O4
- SMILES
-
O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1C
l)Oc1ccc(Br)cc1 - Molecular Weight1
- 450.50
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8263 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.477 | Crippen Calculated Property | |
| McVol | 253.580 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Inp | 2926.00 | NIST | |
| Tboil | 651.03 | K | Relay (1.0) Calculated Property |
| Tc | 967.51 | K | Relay (1.0) Calculated Property |
| Tfus | 383.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.49; 639.04] | J/mol×K | [973.95; 1234.70] | 
|
| Cp,gas | 609.49 | J/mol×K | 973.95 | Joback Calculated Property |
| Cp,gas | 616.66 | J/mol×K | 1017.41 | Joback Calculated Property |
| Cp,gas | 622.87 | J/mol×K | 1060.87 | Joback Calculated Property |
| Cp,gas | 628.15 | J/mol×K | 1104.32 | Joback Calculated Property |
| Cp,gas | 632.57 | J/mol×K | 1147.78 | Joback Calculated Property |
| Cp,gas | 636.18 | J/mol×K | 1191.24 | Joback Calculated Property |
| Cp,gas | 639.04 | J/mol×K | 1234.70 | Joback Calculated Property |
| η | [0.0000458; 0.0002146] | Pa×s | [661.80; 973.95] |
|
| η | 0.0002146 | Pa×s | 661.80 | Joback Calculated Property |
| η | 0.0001510 | Pa×s | 713.83 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 765.85 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 817.88 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 869.90 | Joback Calculated Property |
| η | 0.0000551 | Pa×s | 921.93 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 973.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-bromophenyl 2,4,6-trichlorophenyl ester.
Sources
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