Selected ATcT [1, 2] enthalpy of formation based on version 1.122p of the Thermochemical Network [3]
This version of ATcT results was generated from an expansion of version 1.122o [4] to include an updated enthalpy of formation for Hydrazine. [5].| Species Name | Formula | Image | ΔfH°(0 K) | ΔfH°(298.15 K) | Uncertainty | Units | Relative Molecular Mass |
ATcT ID |
|---|---|---|---|---|---|---|---|---|
| Bromide | Br- (g) | ![[Br-]](../images/86.png) | -206.623 | -212.685 | ± 0.056 | kJ/mol | 79.90455 ± 0.00100 | 24959-67-9*0 |
Representative Geometry of Br- (g)
Top contributors to the provenance of ΔfH° of Br- (g)
The 1 contributors listed below account for 94.9% of the provenance of ΔfH° of Br- (g).Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.
| Contribution (%) | TN ID | Reaction | Measured Quantity | Reference |
|---|---|---|---|---|
| 94.9 | 946.2 | Br2 (cr,l) → Br2 (g) | ΔrH°(298.15 K) = 7.386 ± 0.027 kcal/mol | Hildenbrand 1958 |
Top 10 species with enthalpies of formation correlated to the ΔfH° of Br- (g)
The correlation coefficient is a number from -1 to 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.
| Correlation Coefficent (%) | Species Name | Formula | Image | ΔfH°(0 K) | ΔfH°(298.15 K) | Uncertainty | Units | Relative Molecular Mass | ATcT ID |
|---|---|---|---|---|---|---|---|---|---|
| 100.0 | Bromine atom | Br (g) | ![[Br]](../images/28.png) | 117.914 | 111.851 | ± 0.056 | kJ/mol | 79.90400 ± 0.00100 | 10097-32-2*0 |
| 100.0 | Bromine atom | Br (g, 2P3/2) | ![[Br]](../images/1018.png) | 117.914 | 111.851 | ± 0.056 | kJ/mol | 79.90400 ± 0.00100 | 10097-32-2*1 |
| 100.0 | Bromine atom | Br (g, 2P1/2) | ![[Br]](../images/1652.png) | 161.998 | 155.936 | ± 0.056 | kJ/mol | 79.90400 ± 0.00100 | 10097-32-2*2 |
| 100.0 | Dibromine | Br2 (g) |  | 45.68 | 30.88 | ± 0.11 | kJ/mol | 159.8080 ± 0.0020 | 7726-95-6*0 |
| 99.4 | Bromanylium | Br+ (g) | ![[Br+]](../images/391.png) | 1257.775 | 1251.712 | ± 0.056 | kJ/mol | 79.90345 ± 0.00100 | 22541-56-6*0 |
| 93.6 | Bromochlorane | BrCl (g) |  | 21.879 | 14.435 | ± 0.060 | kJ/mol | 115.3567 ± 0.0013 | 13863-41-7*0 |
| 83.4 | Iodine monobromide | IBr (g) |  | 49.715 | 40.768 | ± 0.067 | kJ/mol | 206.8085 ± 0.0010 | 7789-33-5*0 |
| 49.0 | Diatomic bromine cation | [Br2]+ (g) | ![Br[Br+]](../images/1346.png) | 1060.32 | 1045.37 | ± 0.23 | kJ/mol | 159.8075 ± 0.0020 | 12595-71-0*0 |
| 29.7 | Dibromophosgene | CBr2O (g) |  | -97.98 | -113.92 | ± 0.37 | kJ/mol | 187.8181 ± 0.0022 | 593-95-3*0 |
| 29.4 | Hydrogen bromide | HBr (g) |  | -27.94 | -35.79 | ± 0.14 | kJ/mol | 80.9119 ± 0.0010 | 10035-10-6*0 |
Most Influential reactions involving Br- (g)
Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.| Influence Coefficient | TN ID | Reaction | Measured Quantity | Reference |
|---|---|---|---|---|
| 1.000 | 956.1 | Br- (g) → Br (g) | ΔrH°(0 K) = 27129.170 ± 0.015 cm-1 | Blondel 1989 |
| 0.459 | 962.1 | Br- (g) + Br2 (g) → [Br2]- (g) + Br (g) | ΔrH°(0 K) = 0.84 ± 0.03 eV | Chupka 1971b |
| 0.431 | 1683.2 | [ON(O)O]- (g) + HBr (g) → Br- (g) + HON(O)O (g) | ΔrH°(391 K) = -1.03 ± 0.21 kcal/mol | Davidson 1977, 2nd Law |
| 0.301 | 1001.4 | [Br3]- (g) → Br- (g) + Br2 (g) | ΔrH°(298.15 K) = 30.6 ± 0.8 kcal/mol | Thanthiriwatte 2014, est unc |
| 0.231 | 963.1 | Br- (g) + Cl2 (g) → [Cl2]- (g) + Br (g) | ΔrH°(0 K) = 1.01 ± 0.03 eV | Chupka 1971b |
| 0.159 | 1683.1 | [ON(O)O]- (g) + HBr (g) → Br- (g) + HON(O)O (g) | ΔrH°(0 K) = -0.045 ± 0.015 eV | Ferguson 1972b |
| 0.153 | 1127.2 | [IO]- (g) + Br- (g) → [BrO]- (g) + I- (g) | ΔrH°(0 K) = 6.00 ± 0.6 kcal/mol | Peterson 2006 |
| 0.099 | 1026.1 | [BrO]- (g) → Br- (g) + O (g) | ΔrH°(0 K) = 32.46 ± 0.4 kcal/mol | Peterson 2006 |
| 0.094 | 1683.3 | [ON(O)O]- (g) + HBr (g) → Br- (g) + HON(O)O (g) | ΔrG°(391 K) = 0.76 ± 0.45 kcal/mol | Davidson 1977, 3rd Law |
| 0.075 | 1001.2 | [Br3]- (g) → Br- (g) + Br2 (g) | ΔrH°(0 K) = 29.51 ± 1.60 kcal/mol | Ruscic G4 |
| 0.068 | 1001.1 | [Br3]- (g) → Br- (g) + Br2 (g) | ΔrH°(0 K) = 127 ± 7 kJ/mol | Nizzi 1998 |
| 0.042 | 1145.1 | HOI (g) + Br- (g) → HOBr (g) + I- (g) | ΔrH°(0 K) = 22.6 ± 15 kJ/mol | Hassanzadeh 1997, est unc |
| 0.041 | 1001.3 | [Br3]- (g) → Br- (g) + Br2 (g) | ΔrH°(0 K) = 30.08 ± 2.16 kcal/mol | Ruscic CBS-n |
| 0.041 | 954.1 | [Br2]- (g) → Br (g) + Br- (g) | ΔrH°(0 K) = 1.15 ± 0.10 eV | Baede 1973 |
| 0.035 | 961.1 | Br- (g) + F2 (g) → [F2]- (g) + Br (g) | ΔrH°(0 K) = 0.27 ± 0.03 (×2.594) eV | Chupka 1971b |
| 0.023 | 1001.5 | [Br3]- (g) → Br- (g) + Br2 (g) | ΔrH°(0 K) = 127.4 ± 12 kJ/mol | Haller 2011, est unc |
| 0.016 | 5442.2 | [KrH]+ (g) + Br- (g) → Kr (g) + HBr (g) | ΔrH°(0 K) = -221.29 ± 1.3 kcal/mol | Ruscic CBS-n |
| 0.014 | 5442.1 | [KrH]+ (g) + Br- (g) → Kr (g) + HBr (g) | ΔrH°(0 K) = -220.35 ± 1.0 (×1.384) kcal/mol | Ruscic G4 |
| 0.010 | 960.1 | [Br2]- (g) → Br- (g) + Br (g) | ΔrH°(0 K) = 1.08 ± 0.20 eV | Dispert 1977 |
| 0.010 | 962.2 | Br- (g) + Br2 (g) → [Br2]- (g) + Br (g) | ΔrH°(0 K) = 0.70 ± 0.20 eV | Hughes 1973 |
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Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.