- InChI
- InChI=1S/C12H7Br3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
- InChI Key
- YCLZBYQDXVJFII-UHFFFAOYSA-N
- Formula
- C12H7Br3
- SMILES
- Brc1cc(Br)c(-c2ccccc2)c(Br)c1
- Molecular Weight1
- 390.90
- CAS
- 59080-33-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.4696 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 276.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.30 | Aq. Solubility Prediction | |
| logPoct/wat | 5.641 | Crippen Calculated Property | |
| McVol | 184.920 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Tboil | 624.03 | K | Relay (1.0) Calculated Property |
| Tc | 876.95 | K | Relay (1.0) Calculated Property |
| Tfus | 364.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.15; 419.46] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.36000e+00 | |||
| Coefficient B | 9.22100e-01 | |||
| Coefficient C | -7.04480e-04 | |||
| Coefficient D | 2.10200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 335.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 358.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 377.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 419.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007176; 0.0001763] | Pa×s | [494.80; 721.96] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17015e+01 | |||
| Coefficient B | 2.20776e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 494.80 | |||
| Temperature range, max. | 721.96 | |||
| η | 0.0007176 | Pa×s | 494.80 | Calculated Property |
| η | 0.0005779 | Pa×s | 520.04 | Calculated Property |
| η | 0.0004748 | Pa×s | 545.28 | Calculated Property |
| η | 0.0003969 | Pa×s | 570.52 | Calculated Property |
| η | 0.0003369 | Pa×s | 595.76 | Calculated Property |
| η | 0.0002898 | Pa×s | 621.00 | Calculated Property |
| η | 0.0002522 | Pa×s | 646.24 | Calculated Property |
| η | 0.0002218 | Pa×s | 671.48 | Calculated Property |
| η | 0.0001969 | Pa×s | 696.72 | Calculated Property |
| η | 0.0001763 | Pa×s | 721.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Tribromobiphenyl.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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