Selected ATcT [1, 2] enthalpy of formation based on version 1.202 of the Thermochemical Network [3]

This version of ATcT results[3] was generated by additional expansion of version 1.176 in order to include species related to the thermochemistry of glycine[4].

Tetrabromomethane

Formula: CBr4 (g)
CAS RN: 558-13-4
ATcT ID: 558-13-4*0
SMILES: BrC(Br)(Br)Br
SMILES: C(Br)(Br)(Br)Br
InChI: InChI=1S/CBr4/c2-1(3,4)5
InChIKey: HJUGFYREWKUQJT-UHFFFAOYSA-N
Hills Formula: C1Br4

2D Image:

BrC(Br)(Br)Br
Aliases: CBr4; Tetrabromomethane; Methane tetrabromide; Carbon tetrabromide; Tetrabromocarbon; Perbromomethane; Carbon perbromide; Perbromocarbon; Carbon bromide
Relative Molecular Mass: 331.6267 ± 0.0041

   ΔfH°(0 K)   ΔfH°(298.15 K)UncertaintyUnits
144.80115.10± 0.73kJ/mol

3D Image of CBr4 (g)

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Top contributors to the provenance of ΔfH° of CBr4 (g)

The 20 contributors listed below account only for 67.2% of the provenance of ΔfH° of CBr4 (g).
A total of 75 contributors would be needed to account for 90% of the provenance.

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
7.26273.8 CBr4 (g) → C (g) + 4 Br (g) ΔrH°(0 K) = 1037.9 ± 2.5 kJ/molBross 2023
7.26274.6 CBr4 (g) + 4 H (g) → CH4 (g) + 4 Br (g) ΔrH°(0 K) = -604.0 ± 2.5 kJ/molBross 2023
6.31108.2 Br2 (cr,l) → Br2 (g) ΔrH°(298.15 K) = 7.386 ± 0.027 kcal/molHildenbrand 1958
5.96337.7 CH3Br (g) + 3 Br (g) → CBr4 (g) + 3 H (g) ΔrH°(0 K) = 459.7 ± 2.5 kJ/molBross 2023
5.86414.1 CHBr3 (g) + Br2 (g) → CBr4 (g) + HBr (g) ΔrG°(588.3 K) = 3.27 ± 1.00 kJ/molKing 1971, 3rd Law
5.26277.7 CBr4 (g) + 4 H2 (g) → CH4 (g) + 4 HBr (g) ΔrH°(0 K) = -321.6 ± 2.5 kJ/molBross 2023
4.56344.7 CH3Br (g) + 3 HBr (g) → CBr4 (g) + 3 H2 (g) ΔrH°(0 K) = 247.9 ± 2.5 kJ/molBross 2023
3.26410.7 CHBr3 (g) → C (g) + H (g) + 3 Br (g) ΔrH°(0 K) = 1200.4 ± 2.5 kJ/molBross 2023
2.86345.13 4 CH3Br (g) → CBr4 (g) + 3 CH4 (g) ΔrH°(0 K) = 26.8 ± 2.5 kJ/molBross 2023
2.66287.5 CI4 (g) + 4 Br (g) → CBr4 (g) + 4 I (g) ΔrH°(0 K) = -221.5 ± 2.5 kJ/molBross 2023
2.36415.6 CHBr3 (g) + 3 H2 (g) → CH4 (g) + 3 HBr (g) ΔrH°(0 K) = -229.7 ± 2.5 kJ/molBross 2023
2.29864.1 S(O)(OH)2 (aq, 2500 H2O) + Br2 (cr,l) + H2O (cr,l) → OS(O)(OH)2 (aq, 2500 H2O) + 2 HBr (aq, 1250 H2O) ΔrH°(298.15 K) = -55.47 ± 0.11 kcal/molJohnson 1963
1.96463.2 CH2Br2 (g) + 2 HBr (g) → CBr4 (g) + 2 H2 (g) ΔrH°(0 K) = 173.1 ± 2.5 kJ/molBross 2023
1.86416.6 CHBr3 (g) + 2 H2 (g) → CH3Br (g) + 2 HBr (g) ΔrH°(0 K) = -156.0 ± 2.5 kJ/molBross 2023
1.56291.4 CI4 (g) + 4 HBr (g) → CBr4 (g) + 4 HI (g) ΔrH°(0 K) = 46.5 ± 2.5 kJ/molBross 2023
1.46337.5 CH3Br (g) + 3 Br (g) → CBr4 (g) + 3 H (g) ΔrH°(0 K) = 110.95 ± 1.2 kcal/molOren 2004
1.26331.1 CH3Br (g) → [CH3]+ (g) + Br (g) ΔrH°(0 K) = 12.834 ± 0.002 (×2.954) eVSong 2001
1.16456.8 CH2Br2 (g) → C (g) + 2 H (g) + 2 Br (g) ΔrH°(0 K) = 1352.2 ± 2.5 kJ/molBross 2023
1.16466.2 CH2Br2 (g) + 2 CH3Br (g) → CBr4 (g) + 2 CH4 (g) ΔrH°(0 K) = 25.7 ± 2.5 kJ/molBross 2023
1.16273.6 CBr4 (g) → C (g) + 4 Br (g) ΔrH°(0 K) = 247.15 ± 1.5 kcal/molOren 2004
7.26273.8 CBr4 (g) → C (g) + 4 Br (g) ΔrH°(0 K) = 1037.9 ± 2.5 kJ/molBross 2023
7.26274.6 CBr4 (g) + 4 H (g) → CH4 (g) + 4 Br (g) ΔrH°(0 K) = -604.0 ± 2.5 kJ/molBross 2023
6.31108.2 Br2 (cr,l) → Br2 (g) ΔrH°(298.15 K) = 7.386 ± 0.027 kcal/molHildenbrand 1958
5.96337.7 CH3Br (g) + 3 Br (g) → CBr4 (g) + 3 H (g) ΔrH°(0 K) = 459.7 ± 2.5 kJ/molBross 2023
5.86414.1 CHBr3 (g) + Br2 (g) → CBr4 (g) + HBr (g) ΔrG°(588.3 K) = 3.27 ± 1.00 kJ/molKing 1971, 3rd Law
5.26277.7 CBr4 (g) + 4 H2 (g) → CH4 (g) + 4 HBr (g) ΔrH°(0 K) = -321.6 ± 2.5 kJ/molBross 2023
4.56344.7 CH3Br (g) + 3 HBr (g) → CBr4 (g) + 3 H2 (g) ΔrH°(0 K) = 247.9 ± 2.5 kJ/molBross 2023
3.26410.7 CHBr3 (g) → C (g) + H (g) + 3 Br (g) ΔrH°(0 K) = 1200.4 ± 2.5 kJ/molBross 2023
2.86345.13 4 CH3Br (g) → CBr4 (g) + 3 CH4 (g) ΔrH°(0 K) = 26.8 ± 2.5 kJ/molBross 2023
2.66287.5 CI4 (g) + 4 Br (g) → CBr4 (g) + 4 I (g) ΔrH°(0 K) = -221.5 ± 2.5 kJ/molBross 2023
2.36415.6 CHBr3 (g) + 3 H2 (g) → CH4 (g) + 3 HBr (g) ΔrH°(0 K) = -229.7 ± 2.5 kJ/molBross 2023
2.29864.1 S(O)(OH)2 (aq, 2500 H2O) + Br2 (cr,l) + H2O (cr,l) → OS(O)(OH)2 (aq, 2500 H2O) + 2 HBr (aq, 1250 H2O) ΔrH°(298.15 K) = -55.47 ± 0.11 kcal/molJohnson 1963
1.96463.2 CH2Br2 (g) + 2 HBr (g) → CBr4 (g) + 2 H2 (g) ΔrH°(0 K) = 173.1 ± 2.5 kJ/molBross 2023
1.86416.6 CHBr3 (g) + 2 H2 (g) → CH3Br (g) + 2 HBr (g) ΔrH°(0 K) = -156.0 ± 2.5 kJ/molBross 2023
1.56291.4 CI4 (g) + 4 HBr (g) → CBr4 (g) + 4 HI (g) ΔrH°(0 K) = 46.5 ± 2.5 kJ/molBross 2023
1.46337.5 CH3Br (g) + 3 Br (g) → CBr4 (g) + 3 H (g) ΔrH°(0 K) = 110.95 ± 1.2 kcal/molOren 2004
1.26331.1 CH3Br (g) → [CH3]+ (g) + Br (g) ΔrH°(0 K) = 12.834 ± 0.002 (×2.954) eVSong 2001
1.16456.8 CH2Br2 (g) → C (g) + 2 H (g) + 2 Br (g) ΔrH°(0 K) = 1352.2 ± 2.5 kJ/molBross 2023
1.16466.2 CH2Br2 (g) + 2 CH3Br (g) → CBr4 (g) + 2 CH4 (g) ΔrH°(0 K) = 25.7 ± 2.5 kJ/molBross 2023
1.16273.6 CBr4 (g) → C (g) + 4 Br (g) ΔrH°(0 K) = 247.15 ± 1.5 kcal/molOren 2004

Top 10 species with enthalpies of formation correlated to the ΔfH° of CBr4 (g)

Please note: The correlation coefficients are obtained by renormalizing the off-diagonal elements of the covariance matrix by the corresponding variances.
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
76.6 TetrabromomethaneCBr4 (cr, monoclinic)BrC(Br)(Br)Br60.61± 0.96kJ/mol331.6267 ±
0.0041		558-13-4*500
76.6 TetrabromomethaneCBr4 (cr, monoclinic)BrC(Br)(Br)Br60.61± 0.96kJ/mol331.6267 ±
0.0041		558-13-4*500
71.5 BromoformCHBr3 (g)C(Br)(Br)Br80.9854.83± 0.70kJ/mol252.7306 ±
0.0031		75-25-2*0
71.5 BromoformCHBr3 (g)C(Br)(Br)Br80.9854.83± 0.70kJ/mol252.7306 ±
0.0031		75-25-2*0
70.8 BromoformCHBr3 (l)C(Br)(Br)Br8.78± 0.71kJ/mol252.7306 ±
0.0031		75-25-2*590
70.8 BromoformCHBr3 (l)C(Br)(Br)Br8.78± 0.71kJ/mol252.7306 ±
0.0031		75-25-2*590
51.8 DibromomethaneCH2Br2 (g)C(Br)Br27.015.61± 0.59kJ/mol173.8346 ±
0.0022		74-95-3*0
51.8 DibromomethaneCH2Br2 (g)C(Br)Br27.015.61± 0.59kJ/mol173.8346 ±
0.0022		74-95-3*0
50.1 DibromomethaneCH2Br2 (l)C(Br)Br-31.42± 0.61kJ/mol173.8346 ±
0.0022		74-95-3*590
50.1 DibromomethaneCH2Br2 (l)C(Br)Br-31.42± 0.61kJ/mol173.8346 ±
0.0022		74-95-3*590
42.3 BromomethaneCH3Br (g)CBr-20.45-35.85± 0.19kJ/mol94.9385 ±
0.0013		74-83-9*0
42.3 BromomethaneCH3Br (g)CBr-20.45-35.85± 0.19kJ/mol94.9385 ±
0.0013		74-83-9*0
41.0 Bromomethane cation[CH3Br]+ (g)C[Br+]996.66981.75± 0.20kJ/mol94.9380 ±
0.0013		12538-70-4*0
41.0 Bromomethane cation[CH3Br]+ (g)C[Br+]996.66981.75± 0.20kJ/mol94.9380 ±
0.0013		12538-70-4*0
40.1 BromomethaneCH3Br (l)CBr-56.17-59.19± 0.20kJ/mol94.9385 ±
0.0013		74-83-9*590
40.1 BromomethaneCH3Br (l)CBr-56.17-59.19± 0.20kJ/mol94.9385 ±
0.0013		74-83-9*590
39.0 TribromochloromethaneCBr3Cl (g)ClC(Br)(Br)Br86.763.9± 1.4kJ/mol287.1754 ±
0.0032		594-15-0*0
39.0 TribromochloromethaneCBr3Cl (g)ClC(Br)(Br)Br86.763.9± 1.4kJ/mol287.1754 ±
0.0032		594-15-0*0
37.0 TribromofluoromethaneCBr3F (g)FC(Br)(Br)Br-97.9-121.9± 1.4kJ/mol270.7211 ±
0.0031		353-54-8*0
37.0 TribromofluoromethaneCBr3F (g)FC(Br)(Br)Br-97.9-121.9± 1.4kJ/mol270.7211 ±
0.0031		353-54-8*0

Most Influential reactions involving CBr4 (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
0.7626281.1 CBr4 (cr, monoclinic) → CBr4 (g) ΔrH°(298.15 K) = 54.5 ± 0.7 kJ/molBickerton 1984
0.3386545.4 CF2Br2 (g) + CBr4 (g) → 2 CBr3F (g) ΔrH°(0 K) = 4.95 ± 1.0 kcal/molRuscic G4
0.3266551.4 CCl2Br2 (g) + CBr4 (g) → 2 CBr3Cl (g) ΔrH°(0 K) = 0.11 ± 1.0 kcal/molRuscic G4
0.2966414.1 CHBr3 (g) + Br2 (g) → CBr4 (g) + HBr (g) ΔrG°(588.3 K) = 3.27 ± 1.00 kJ/molKing 1971, 3rd Law
0.2946548.4 CCl4 (g) + CBr4 (g) → 2 CCl2Br2 (g) ΔrH°(0 K) = 0.37 ± 1.0 kcal/molRuscic G4
0.2806542.3 CF4 (g) + CBr4 (g) → 2 CF2Br2 (g) ΔrH°(0 K) = 14.91 ± 1.1 kcal/molRuscic G3X
0.2796545.3 CF2Br2 (g) + CBr4 (g) → 2 CBr3F (g) ΔrH°(0 K) = 4.37 ± 1.1 kcal/molRuscic G3X
0.2696551.3 CCl2Br2 (g) + CBr4 (g) → 2 CBr3Cl (g) ΔrH°(0 K) = -0.02 ± 1.1 kcal/molRuscic G3X
0.2436548.3 CCl4 (g) + CBr4 (g) → 2 CCl2Br2 (g) ΔrH°(0 K) = 0.25 ± 1.1 kcal/molRuscic G3X
0.2376281.2 CBr4 (cr, monoclinic) → CBr4 (g) ΔrH°(298.15 K) = 13.0 ± 0.3 kcal/molBradley 1959
0.2226544.4 CF3Br (g) + CBr4 (g) → CF2Br2 (g) + CBr3F (g) ΔrH°(0 K) = 9.07 ± 1.0 kcal/molRuscic G4
0.2216364.5 4 CH3I (g) + CBr4 (g) → 4 CH3Br (g) + CI4 (g) ΔrH°(0 K) = -0.5 ± 2.5 kJ/molBross 2023
0.2006550.4 CCl3Br (g) + CBr4 (g) → CCl2Br2 (g) + CBr3Cl (g) ΔrH°(0 K) = 0.18 ± 1.0 kcal/molRuscic G4
0.1856287.5 CI4 (g) + 4 Br (g) → CBr4 (g) + 4 I (g) ΔrH°(0 K) = -221.5 ± 2.5 kJ/molBross 2023
0.1856291.4 CI4 (g) + 4 HBr (g) → CBr4 (g) + 4 HI (g) ΔrH°(0 K) = 46.5 ± 2.5 kJ/molBross 2023
0.1836544.3 CF3Br (g) + CBr4 (g) → CF2Br2 (g) + CBr3F (g) ΔrH°(0 K) = 8.10 ± 1.1 kcal/molRuscic G3X
0.1696542.4 CF4 (g) + CBr4 (g) → 2 CF2Br2 (g) ΔrH°(0 K) = 16.54 ± 1.0 (×1.414) kcal/molRuscic G4
0.1656550.3 CCl3Br (g) + CBr4 (g) → CCl2Br2 (g) + CBr3Cl (g) ΔrH°(0 K) = 0.07 ± 1.1 kcal/molRuscic G3X
0.1636457.1 2 CH2Br2 (g) → CBr4 (g) + CH4 (g) ΔrH°(0 K) = 24.6 ± 2.5 kJ/molBross 2023
0.1636530.6 CH4 (g) + CBr4 (g) → 2 CH2Br2 (g) ΔrH°(0 K) = -24.6 ± 2.5 kJ/molBross 2023
0.7626281.1 CBr4 (cr, monoclinic) → CBr4 (g) ΔrH°(298.15 K) = 54.5 ± 0.7 kJ/molBickerton 1984
0.3386545.4 CF2Br2 (g) + CBr4 (g) → 2 CBr3F (g) ΔrH°(0 K) = 4.95 ± 1.0 kcal/molRuscic G4
0.3266551.4 CCl2Br2 (g) + CBr4 (g) → 2 CBr3Cl (g) ΔrH°(0 K) = 0.11 ± 1.0 kcal/molRuscic G4
0.2966414.1 CHBr3 (g) + Br2 (g) → CBr4 (g) + HBr (g) ΔrG°(588.3 K) = 3.27 ± 1.00 kJ/molKing 1971, 3rd Law
0.2946548.4 CCl4 (g) + CBr4 (g) → 2 CCl2Br2 (g) ΔrH°(0 K) = 0.37 ± 1.0 kcal/molRuscic G4
0.2806542.3 CF4 (g) + CBr4 (g) → 2 CF2Br2 (g) ΔrH°(0 K) = 14.91 ± 1.1 kcal/molRuscic G3X
0.2796545.3 CF2Br2 (g) + CBr4 (g) → 2 CBr3F (g) ΔrH°(0 K) = 4.37 ± 1.1 kcal/molRuscic G3X
0.2696551.3 CCl2Br2 (g) + CBr4 (g) → 2 CBr3Cl (g) ΔrH°(0 K) = -0.02 ± 1.1 kcal/molRuscic G3X
0.2436548.3 CCl4 (g) + CBr4 (g) → 2 CCl2Br2 (g) ΔrH°(0 K) = 0.25 ± 1.1 kcal/molRuscic G3X
0.2376281.2 CBr4 (cr, monoclinic) → CBr4 (g) ΔrH°(298.15 K) = 13.0 ± 0.3 kcal/molBradley 1959
0.2226544.4 CF3Br (g) + CBr4 (g) → CF2Br2 (g) + CBr3F (g) ΔrH°(0 K) = 9.07 ± 1.0 kcal/molRuscic G4
0.2216364.5 4 CH3I (g) + CBr4 (g) → 4 CH3Br (g) + CI4 (g) ΔrH°(0 K) = -0.5 ± 2.5 kJ/molBross 2023
0.2006550.4 CCl3Br (g) + CBr4 (g) → CCl2Br2 (g) + CBr3Cl (g) ΔrH°(0 K) = 0.18 ± 1.0 kcal/molRuscic G4
0.1856287.5 CI4 (g) + 4 Br (g) → CBr4 (g) + 4 I (g) ΔrH°(0 K) = -221.5 ± 2.5 kJ/molBross 2023
0.1856291.4 CI4 (g) + 4 HBr (g) → CBr4 (g) + 4 HI (g) ΔrH°(0 K) = 46.5 ± 2.5 kJ/molBross 2023
0.1836544.3 CF3Br (g) + CBr4 (g) → CF2Br2 (g) + CBr3F (g) ΔrH°(0 K) = 8.10 ± 1.1 kcal/molRuscic G3X
0.1696542.4 CF4 (g) + CBr4 (g) → 2 CF2Br2 (g) ΔrH°(0 K) = 16.54 ± 1.0 (×1.414) kcal/molRuscic G4
0.1656550.3 CCl3Br (g) + CBr4 (g) → CCl2Br2 (g) + CBr3Cl (g) ΔrH°(0 K) = 0.07 ± 1.1 kcal/molRuscic G3X
0.1636457.1 2 CH2Br2 (g) → CBr4 (g) + CH4 (g) ΔrH°(0 K) = 24.6 ± 2.5 kJ/molBross 2023
0.1636530.6 CH4 (g) + CBr4 (g) → 2 CH2Br2 (g) ΔrH°(0 K) = -24.6 ± 2.5 kJ/molBross 2023
References
1   B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y]
2   B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078]
3   B. Ruscic and D. H. Bross,
Active Thermochemical Tables (ATcT) values based on ver. 1.202 of the Thermochemical Network (2024); available at ATcT.anl.gov
4   B. Ruscic and D. H. Bross
Accurate and Reliable Thermochemistry by Data Analysis of Complex Thermochemical Networks using Active Thermochemical Tables: The Case of Glycine Thermochemistry
Faraday Discuss. (in press) (2024) [DOI: 10.1039/D4FD00110A]
5   B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605]
6   B. Ruscic and D. H. Bross,
Thermochemistry
Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2]
Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.
Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [5] and Ruscic and Bross[6]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.
Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
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/.
Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.