- InChI
- InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
- InChI Key
- JIQXVIJARQLCOY-UHFFFAOYSA-N
- Formula
- C7H6BrFO
- SMILES
- COc1ccc(F)cc1Br
- Molecular Weight1
- 205.02
- CAS
- 452-08-4
- Other Names
-
- Benzene, 2-bromo-4-fluoro-1-methoxy-
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4063 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.597 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 472.11 | K | Relay (1.0) Calculated Property |
| Tc | 694.03 | K | Relay (1.0) Calculated Property |
| Tfus | 279.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.16; 250.22] | J/mol×K | [484.05; 704.15] | 
|
| Cp,gas | 202.16 | J/mol×K | 484.05 | Joback Calculated Property |
| Cp,gas | 211.35 | J/mol×K | 520.73 | Joback Calculated Property |
| Cp,gas | 220.05 | J/mol×K | 557.42 | Joback Calculated Property |
| Cp,gas | 228.28 | J/mol×K | 594.10 | Joback Calculated Property |
| Cp,gas | 236.05 | J/mol×K | 630.78 | Joback Calculated Property |
| Cp,gas | 243.36 | J/mol×K | 667.47 | Joback Calculated Property |
| Cp,gas | 250.22 | J/mol×K | 704.15 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 362.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 2-Bromo-4-fluoroanisole.
Sources
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