- InChI
- InChI=1S/C16H11BrFNO3/c17-11-5-7-12(8-6-11)22-16(21)10-9-15(20)19-14-4-2-1-3-13(14)18/h1-10H,(H,19,20)/b10-9+
- InChI Key
- FRODGEGERZUMCR-MDZDMXLPSA-N
- Formula
- C16H11BrFNO3
- SMILES
-
O=C(C=CC(=O)Oc1ccc(Br)cc1)Nc1c
cccc1F - Molecular Weight1
- 364.17
- 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° | -84.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.688 | Crippen Calculated Property | |
| McVol | 222.740 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [2862.00; 2862.00] |
|
|
| Inp | 2862.00 | NIST | |
| Inp | 2862.00 | NIST | |
| Tboil | 878.72 | K | Joback Calculated Property |
| Tc | 1124.02 | K | Joback Calculated Property |
| Tfus | 578.02 | K | Joback Calculated Property |
| Vc | 0.841 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.11; 641.77] | J/mol×K | [878.72; 1124.02] |
|
| Cp,gas | 593.11 | J/mol×K | 878.72 | Joback Calculated Property |
| Cp,gas | 603.29 | J/mol×K | 919.60 | Joback Calculated Property |
| Cp,gas | 612.52 | J/mol×K | 960.49 | Joback Calculated Property |
| Cp,gas | 620.91 | J/mol×K | 1001.37 | Joback Calculated Property |
| Cp,gas | 628.52 | J/mol×K | 1042.26 | Joback Calculated Property |
| Cp,gas | 635.45 | J/mol×K | 1083.14 | Joback Calculated Property |
| Cp,gas | 641.77 | J/mol×K | 1124.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, 4-bromophenyl ester.
Sources
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