- InChI
- InChI=1S/C16H11BrClNO3/c17-11-5-1-3-7-13(11)19-15(20)9-10-16(21)22-14-8-4-2-6-12(14)18/h1-10H,(H,19,20)/b10-9+
- InChI Key
- ZVUREVVWAKOFDI-MDZDMXLPSA-N
- Formula
- C16H11BrClNO3
- SMILES
-
O=C(C=CC(=O)Oc1ccccc1Cl)Nc1ccc
cc1Br - Molecular Weight1
- 380.62
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 98.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.20 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.203 | Crippen Calculated Property | |
| McVol | 233.210 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Inp | 2965.00 | NIST | |
| Tboil | 916.88 | K | Joback Calculated Property |
| Tc | 1173.17 | K | Joback Calculated Property |
| Tfus | 607.35 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.11; 649.61] | J/mol×K | [916.88; 1173.17] | 
|
| Cp,gas | 604.11 | J/mol×K | 916.88 | Joback Calculated Property |
| Cp,gas | 613.66 | J/mol×K | 959.60 | Joback Calculated Property |
| Cp,gas | 622.29 | J/mol×K | 1002.31 | Joback Calculated Property |
| Cp,gas | 630.10 | J/mol×K | 1045.03 | Joback Calculated Property |
| Cp,gas | 637.19 | J/mol×K | 1087.74 | Joback Calculated Property |
| Cp,gas | 643.67 | J/mol×K | 1130.46 | Joback Calculated Property |
| Cp,gas | 649.61 | J/mol×K | 1173.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-chlorophenyl ester.
Sources
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