- InChI
- InChI=1S/C6H5Br2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
- InChI Key
- QFTJOYLPELHHCO-UHFFFAOYSA-N
- Formula
- C6H5Br2N
- SMILES
- Nc1ccc(Br)c(Br)c1
- Molecular Weight1
- 250.92
- CAS
- 615-55-4
- Other Names
-
- Benzenamine, 3,4-dibromo-
- 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 | 0.4896 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 139.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.794 | Crippen Calculated Property | |
| McVol | 116.620 | ml/mol | McGowan Calculated Property |
| Pc | 5935.41 | kPa | Joback Calculated Property |
| Tboil | 573.09 | K | Relay (1.0) Calculated Property |
| Tc | 824.59 | K | Relay (1.0) Calculated Property |
| Tfus | 338.24 | 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 | [205.53; 243.39] | J/mol×K | [578.17; 844.98] | 
|
| Cp,gas | 205.53 | J/mol×K | 578.17 | Joback Calculated Property |
| Cp,gas | 213.33 | J/mol×K | 622.64 | Joback Calculated Property |
| Cp,gas | 220.45 | J/mol×K | 667.11 | Joback Calculated Property |
| Cp,gas | 226.96 | J/mol×K | 711.58 | Joback Calculated Property |
| Cp,gas | 232.91 | J/mol×K | 756.05 | Joback Calculated Property |
| Cp,gas | 238.36 | J/mol×K | 800.52 | Joback Calculated Property |
| Cp,gas | 243.39 | J/mol×K | 844.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dibromoaniline.
Sources
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