- InChI
- InChI=1S/C7H6Br3N/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3
- InChI Key
- KDZKZKWJNMBNAP-UHFFFAOYSA-N
- Formula
- C7H6Br3N
- SMILES
- Cc1c(Br)cc(Br)c(N)c1Br
- Molecular Weight1
- 343.84
- CAS
- 71642-16-5
- 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 | 0.5330 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 147.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 148.210 | ml/mol | McGowan Calculated Property |
| Pc | 5446.55 | kPa | Joback Calculated Property |
| Tboil | 600.22 | K | Relay (1.0) Calculated Property |
| Tc | 845.06 | K | Relay (1.0) Calculated Property |
| Tfus | 411.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.10; 307.68] | J/mol×K | [677.17; 951.74] | 
|
| Cp,gas | 270.10 | J/mol×K | 677.17 | Joback Calculated Property |
| Cp,gas | 277.58 | J/mol×K | 722.93 | Joback Calculated Property |
| Cp,gas | 284.48 | J/mol×K | 768.69 | Joback Calculated Property |
| Cp,gas | 290.88 | J/mol×K | 814.46 | Joback Calculated Property |
| Cp,gas | 296.84 | J/mol×K | 860.22 | Joback Calculated Property |
| Cp,gas | 302.42 | J/mol×K | 905.98 | Joback Calculated Property |
| Cp,gas | 307.68 | J/mol×K | 951.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C7H6Br3N.
Sources
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