- InChI
- InChI=1S/C12H11BrFNO3/c1-15(2)11(16)5-6-12(17)18-10-4-3-8(14)7-9(10)13/h3-7H,1-2H3/b6-5+
- InChI Key
- BSOWWZLHXYEGAG-AATRIKPKSA-N
- Formula
- C12H11BrFNO3
- SMILES
-
CN(C)C(=O)C=CC(=O)Oc1ccc(F)cc1
Br - Molecular Weight1
- 316.12
- 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° | -209.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.138 | Crippen Calculated Property | |
| McVol | 190.140 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | 2205.00 | NIST | |
| Tboil | 722.79 | K | Joback Calculated Property |
| Tc | 944.43 | K | Joback Calculated Property |
| Tfus | 486.33 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.21; 523.70] | J/mol×K | [722.79; 944.43] | 
|
| Cp,gas | 468.21 | J/mol×K | 722.79 | Joback Calculated Property |
| Cp,gas | 479.34 | J/mol×K | 759.73 | Joback Calculated Property |
| Cp,gas | 489.66 | J/mol×K | 796.67 | Joback Calculated Property |
| Cp,gas | 499.20 | J/mol×K | 833.61 | Joback Calculated Property |
| Cp,gas | 508.02 | J/mol×K | 870.55 | Joback Calculated Property |
| Cp,gas | 516.17 | J/mol×K | 907.49 | Joback Calculated Property |
| Cp,gas | 523.70 | J/mol×K | 944.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 2-bromo-4-fluorophenyl ester.
Sources
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