- InChI
- InChI=1S/C6H2Br2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
- InChI Key
- GLVMLJCMUBZVTJ-UHFFFAOYSA-N
- Formula
- C6H2Br2F2
- SMILES
- Fc1cc(Br)c(F)cc1Br
- Molecular Weight1
- 271.88
- CAS
- 327-51-5
- Other Names
-
- Benzene, 1,4-dibromo-2,5-difluoro-
- 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 | 0.3871 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 ± 0.02 | eV | NIST |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 4691.31 | kPa | Joback Calculated Property |
| Tboil | 481.79 | K | Relay (1.0) Calculated Property |
| Tc | 686.75 | K | Relay (1.0) Calculated Property |
| Tfus | 338.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.02; 211.05] | J/mol×K | [509.16; 740.99] | 
|
| Cp,gas | 179.02 | J/mol×K | 509.16 | Joback Calculated Property |
| Cp,gas | 185.44 | J/mol×K | 547.80 | Joback Calculated Property |
| Cp,gas | 191.39 | J/mol×K | 586.44 | Joback Calculated Property |
| Cp,gas | 196.90 | J/mol×K | 625.08 | Joback Calculated Property |
| Cp,gas | 201.99 | J/mol×K | 663.71 | Joback Calculated Property |
| Cp,gas | 206.70 | J/mol×K | 702.35 | Joback Calculated Property |
| Cp,gas | 211.05 | J/mol×K | 740.99 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [369.00; 369.20] | K | [2.70; 2.70] |
|
| Tboilr | 369.20 | K | 2.70 | NIST |
| Tboilr | 369.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Dibromo-2,5-difluorobenzene.
Sources
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