- InChI
- InChI=1S/C14H7BrFNO2/c15-12-7-11(16)5-6-13(12)19-14(18)10-3-1-9(8-17)2-4-10/h1-7H
- InChI Key
- NDDGFRXURFDMFK-UHFFFAOYSA-N
- Formula
- C14H7BrFNO2
- SMILES
-
N#Cc1ccc(C(=O)Oc2ccc(F)cc2Br)c
c1 - Molecular Weight1
- 320.11
- 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° | -18.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.55 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 3.679 | Crippen Calculated Property | |
| McVol | 188.690 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | 1987.70 | NIST | |
| Tboil | 831.82 | K | Joback Calculated Property |
| Tc | 1085.54 | K | Joback Calculated Property |
| Tfus | 535.48 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.83; 506.20] | J/mol×K | [831.82; 1085.54] | 
|
| Cp,gas | 464.83 | J/mol×K | 831.82 | Joback Calculated Property |
| Cp,gas | 473.90 | J/mol×K | 874.11 | Joback Calculated Property |
| Cp,gas | 482.04 | J/mol×K | 916.39 | Joback Calculated Property |
| Cp,gas | 489.29 | J/mol×K | 958.68 | Joback Calculated Property |
| Cp,gas | 495.71 | J/mol×K | 1000.97 | Joback Calculated Property |
| Cp,gas | 501.33 | J/mol×K | 1043.26 | Joback Calculated Property |
| Cp,gas | 506.20 | J/mol×K | 1085.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyanobenzoic acid, 2-bromo-4-fluorophenyl ester.
Sources
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