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	Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
Hydrogen fluoride	HF (aq, 50 H2O)			-321.16	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*822

Top contributors to the provenance of Δ_fH° of HF (aq, 50 H2O)

The 14 contributors listed below account for 90.7% of the provenance of Δ_fH° of HF (aq, 50 H2O).

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
19.0	4125.1	CF4 (g) + 2 H2O (cr,l) → CO2 (g) + 4 HF (aq, 20 H2O)	Δ_rH°(298.15 K) = -41.38 ± 0.32 kcal/mol	Cox 1965, as quoted by Cox 1970, Domalski 1967
17.9	450.1	1/2 H2 (g) + 1/2 F2 (g) → HF (aq, 50 H2O)	Δ_rH°(298.15 K) = -76.68 ± 0.09 kcal/mol	King 1968
12.7	453.3	HF (g) → HF (aq)	Δ_rH°(298.15 K) = -14.81 ± 0.10 kcal/mol	Vanderzee 1971, Westrum 1949, Davis 1961, Ruterjans 1969
12.7	452.1	HF (g) + [OH]- (aq) → F- (aq) + H2O (cr,l)	Δ_rH°(298.15 K) = -28.065 ± 0.10 kcal/mol	Vanderzee 1971
7.9	5366.1	CH2F2 (g) + O2 (g) → CO2 (g) + 2 HF (aq, 23 H2O)	Δ_rH°(298.15 K) = -139.83 ± 0.22 kcal/mol	Neugebauer 1958, as quoted by Cox 1970
3.1	453.2	HF (g) → HF (aq)	Δ_rH°(298.15 K) = -14.75 ± 0.20 kcal/mol	Hood 1951, Vanderzee 1971, Parker 1965, est unc
3.1	453.1	HF (g) → HF (aq)	Δ_rH°(298.15 K) = -14.82 ± 0.20 kcal/mol	Khaidukov 1936, Vanderzee 1971, Parker 1965, est unc
3.1	451.1	HF (g) → HF (aq, 400 H2O)	Δ_rH°(298.15 K) = -11.56 ± 0.20 kcal/mol	Wartenberg 1926, Vanderzee 1971, Parker 1965
3.1	452.2	HF (g) + [OH]- (aq) → F- (aq) + H2O (cr,l)	Δ_rH°(298.15 K) = -27.93 ± 0.20 kcal/mol	Vanderzee 1971
1.9	4715.1	CF2CF2 (s) + O2 (g) + 2 H2O (cr,l) → 2 CO2 (g) + 4 HF (aq, 10 H2O)	Δ_rH°(298.15 K) = -160.34 ± 0.9 kcal/mol	Scott 1955, Good 1956
1.9	4124.1	CF4 (g) + 2 H2O (cr,l) → CO2 (g) + 4 HF (aq, 10 H2O)	Δ_rH°(298.15 K) = -41.55 ± 1.00 kcal/mol	Scott 1955, Good 1956
1.7	4456.1	2 CHF3 (g) + O2 (g) + 2 H2O (cr,l) → 2 CO2 (g) + 6 HF (aq, 22 H2O)	Δ_rH°(298.15 K) = -180.66 ± 1.30 (×1.164) kcal/mol	Neugebauer 1958, as quoted by Cox 1970
1.1	778.1	FCl(F)(F)(F)F (g) + 3 H2 (g) → HCl (aq, 100 H2O) + 5 HF (aq, 30 H2O)	Δ_rH°(298.15 K) = -365.93 ± 1.58 kcal/mol	Armstrong 1969, Oberholtzer 1971, King 1970
0.8	407.11	F2 (g) → 2 F (g)	Δ_rH°(0 K) = 36.91 ± 0.05 kcal/mol	Feller 2014

Top 10 species with enthalpies of formation correlated to the Δ_fH° of HF (aq, 50 H2O)

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	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
99.9	Hydrogen fluoride	HF (aq, 55.51 H2O)	-321.17	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*891
99.9	Hydrogen fluoride	HF (aq, 55 H2O)	-321.17	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*905
99.9	Hydrogen fluoride	HF (aq, 45 H2O)	-321.15	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*906
99.9	Hydrogen fluoride	HF (aq, 60 H2O)	-321.18	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*823
99.9	Hydrogen fluoride	HF (aq, 40 H2O)	-321.13	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*821
99.9	Hydrogen fluoride	HF (aq, 35 H2O)	-321.12	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*904
99.9	Hydrogen fluoride	HF (aq, 37 H2O)	-321.12	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*890
99.9	Hydrogen fluoride	HF (aq, 30 H2O)	-321.10	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*820
99.9	Hydrogen fluoride	HF (aq)	-334.50	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*800
99.9	Fluoride	F- (aq)	-334.50	± 0.16	kJ/mol	18.99895178 ± 0.00000050	16984-48-8*800

Most Influential reactions involving HF (aq, 50 H2O)

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
0.746	481.2	HF (aq, 45 H2O) → HF (aq, 50 H2O)	Δ_rH°(298.15 K) = -0.0027 ± 0.001 kcal/mol	note HFc, Johnson 1973
0.528	482.2	HF (aq, 50 H2O) → HF (aq, 55 H2O)	Δ_rH°(298.15 K) = -0.0023 ± 0.001 kcal/mol	note HFc, Johnson 1973
0.513	483.2	HF (aq, 50 H2O) → HF (aq, 55.51 H2O)	Δ_rH°(298.15 K) = -0.0025 ± 0.001 kcal/mol	note HFc, Johnson 1973
0.186	481.1	HF (aq, 45 H2O) → HF (aq, 50 H2O)	Δ_rH°(298.15 K) = -0.0042 ± 0.002 kcal/mol	note HFc, Parker 1965
0.184	460.2	HF (aq, 50 H2O) → HF (aq)	Δ_rH°(298.15 K) = -3.1908 ± 0.004 kcal/mol	Johnson 1973
0.179	450.1	1/2 H2 (g) + 1/2 F2 (g) → HF (aq, 50 H2O)	Δ_rH°(298.15 K) = -76.68 ± 0.09 kcal/mol	King 1968
0.132	482.1	HF (aq, 50 H2O) → HF (aq, 55 H2O)	Δ_rH°(298.15 K) = -0.0043 ± 0.002 kcal/mol	note HFc, Parker 1965
0.128	483.1	HF (aq, 50 H2O) → HF (aq, 55.51 H2O)	Δ_rH°(298.15 K) = -0.0047 ± 0.002 kcal/mol	note HFc, Parker 1965
0.082	460.1	HF (aq, 50 H2O) → HF (aq)	Δ_rH°(298.15 K) = -3.184 ± 0.006 kcal/mol	Parker 1965
0.001	722.1	ClF (g) + H2 (g) → HF (aq, 50 H2O) + HCl (aq, 100 H2O)	Δ_rH°(298.15 K) = -102.0 ± 0.8 (×1.354) kcal/mol	Nuttall 1970

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 21^st 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. 1.122p of the Thermochemical Network (2020); available at ATcT.anl.gov
4		P. B. Changala, T. L. Nguyen, J. H. Baraban, G. B. Ellison, J. F. Stanton, D. H. Bross, and B. Ruscic, Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide. J. Phys. Chem. A 121, 8799-8806 (2017) [DOI: 10.1021/acs.jpca.7b06221] (highlighted on the journal cover)
5		D. Feller, D. H. Bross, and B. Ruscic, Enthalpy of Formation of N2H4 (Hydrazine) Revisited. J. Phys. Chem. A 121, 6187-6198 (2017) [DOI: 10.1021/acs.jpca.7b06017]
6		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]

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 [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.

Selected ATcT [1, 2] enthalpy of formation based on version 1.122p of the Thermochemical Network [3]

Top contributors to the provenance of ΔfH° of HF (aq, 50 H2O)

Top 10 species with enthalpies of formation correlated to the ΔfH° of HF (aq, 50 H2O)

Most Influential reactions involving HF (aq, 50 H2O)

Top contributors to the provenance of Δ_fH° of HF (aq, 50 H2O)

Top 10 species with enthalpies of formation correlated to the Δ_fH° of HF (aq, 50 H2O)