- InChI
- InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
- InChI Key
- UPCARQPLANFGQJ-UHFFFAOYSA-N
- Formula
- C7H4BrFO
- SMILES
- O=Cc1ccc(Br)cc1F
- Molecular Weight1
- 203.01
- CAS
- 57848-46-1
- Other Names
-
- 4-Bromo-2-fluorobenzaldehyde
- Benzaldehyde, 4-bromo-2-fluoro-
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.4190 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.401 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Tboil | 487.18 | K | Relay (1.0) Calculated Property |
| Tc | 749.55 | K | Relay (1.0) Calculated Property |
| Tfus | 335.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.83; 234.28] | J/mol×K | [510.29; 736.98] | 
|
| Cp,gas | 193.83 | J/mol×K | 510.29 | Joback Calculated Property |
| Cp,gas | 201.87 | J/mol×K | 548.07 | Joback Calculated Property |
| Cp,gas | 209.35 | J/mol×K | 585.85 | Joback Calculated Property |
| Cp,gas | 216.30 | J/mol×K | 623.63 | Joback Calculated Property |
| Cp,gas | 222.76 | J/mol×K | 661.42 | Joback Calculated Property |
| Cp,gas | 228.74 | J/mol×K | 699.20 | Joback Calculated Property |
| Cp,gas | 234.28 | J/mol×K | 736.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-4-bromobenzaldehyde.
Sources
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