- InChI
- InChI=1S/C6H3Br3/c7-4-2-1-3-5(8)6(4)9/h1-3H
- InChI Key
- GMVJKSNPLYBFSO-UHFFFAOYSA-N
- Formula
- C6H3Br3
- SMILES
- Brc1cccc(Br)c1Br
- Molecular Weight1
- 314.80
- 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 | 0.3796 | Relay (1.0) Calculated Property | |
| ΔfG° | 135.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 154.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Aq. Solubility Prediction | |
| logPoct/wat | 3.974 | Crippen Calculated Property | |
| McVol | 124.140 | ml/mol | McGowan Calculated Property |
| Pc | 6046.69 | kPa | Joback Calculated Property |
| Tboil | 556.56 | K | Relay (1.0) Calculated Property |
| Tc | 768.76 | K | Relay (1.0) Calculated Property |
| Tfus | 360.65 | K | Aq. Solubility Prediction |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.67; 219.07] | J/mol×K | [571.80; 845.73] | 
|
| Cp,gas | 187.67 | J/mol×K | 571.80 | Joback Calculated Property |
| Cp,gas | 194.29 | J/mol×K | 617.45 | Joback Calculated Property |
| Cp,gas | 200.24 | J/mol×K | 663.11 | Joback Calculated Property |
| Cp,gas | 205.62 | J/mol×K | 708.76 | Joback Calculated Property |
| Cp,gas | 210.50 | J/mol×K | 754.42 | Joback Calculated Property |
| Cp,gas | 214.96 | J/mol×K | 800.07 | Joback Calculated Property |
| Cp,gas | 219.07 | J/mol×K | 845.73 | Joback Calculated Property |
| η | [0.0003256; 0.0012854] | Pa×s | [388.24; 571.80] |
|
| η | 0.0012854 | Pa×s | 388.24 | Joback Calculated Property |
| η | 0.0009405 | Pa×s | 418.83 | Joback Calculated Property |
| η | 0.0007180 | Pa×s | 449.43 | Joback Calculated Property |
| η | 0.0005674 | Pa×s | 480.02 | Joback Calculated Property |
| η | 0.0004611 | Pa×s | 510.61 | Joback Calculated Property |
| η | 0.0003837 | Pa×s | 541.21 | Joback Calculated Property |
| η | 0.0003256 | Pa×s | 571.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-TRIBROMOBENZENE.
Sources
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