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

This version of ATcT results was generated from an expansion of version 1.122e [4] to include results centered on the determination of the appearance energy of CH₃⁺ from CH₄. [5].

Species Name	Formula	Image	Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
Hydrogen fluoride	HF (l)			-302.39	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*590

Top contributors to the provenance of Δ_fH° of HF (l)

The 15 contributors listed below account for 90.4% of the provenance of Δ_fH° of HF (l).

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
18.7	4072.1	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
17.6	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
12.6	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
12.6	452.1	HF (g) + [OH]- (aq) → F- (aq) + H2O (cr,l)	Δ_rH°(298.15 K) = -28.065 ± 0.10 kcal/mol	Vanderzee 1971
7.5	5263.1	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
3.2	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	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	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	4661.1	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	4071.1	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
1.8	4402.1	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 (×1.139) 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	462.2	HF (aq, 400 H2O) → HF (aq)	Δ_rH°(298.15 K) = -3.1158 ± 0.004 kcal/mol	Johnson 1973
0.7	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 (l)

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
99.7	Hydrogen fluoride	HF (aq, 400 H2O)	-321.45	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*832
99.2	Hydrogen fluoride	HF (aq)	-334.49	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*800
99.2	Fluoride	F- (aq)	-334.49	± 0.16	kJ/mol	18.99895178 ± 0.00000050	16984-48-8*800
99.1	Hydrogen fluoride	HF (aq, 45 H2O)	-321.13	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*906
99.1	Hydrogen fluoride	HF (aq, 50 H2O)	-321.15	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*822
99.1	Hydrogen fluoride	HF (aq, 40 H2O)	-321.12	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*821
99.1	Hydrogen fluoride	HF (aq, 37 H2O)	-321.11	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*890
99.1	Hydrogen fluoride	HF (aq, 35 H2O)	-321.10	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*904
99.1	Hydrogen fluoride	HF (aq, 55.51 H2O)	-321.16	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*891
99.1	Hydrogen fluoride	HF (aq, 30 H2O)	-321.09	± 0.16	kJ/mol	20.006343 ± 0.000070	7664-39-3*820

Most Influential reactions involving HF (l)

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
0.989	455.1	HF (l) → HF (aq, 400 H2O)	Δ_rH°(298.15 K) = -4.5562 ± 0.0029 kcal/mol	Johnson 1973
0.035	454.1	HF (l) + [OH]- (aq) → F- (aq) + H2O (cr,l)	Δ_rH°(298.15 K) = -21.017 ± 0.029 kcal/mol	Johnson 1973, note HFb
0.002	4652.2	CF2CF2 (g) + 2 H2 (g) → 2 C (graphite) + 4 HF (l)	Δ_rH°(298.15 K) = -131.71 ± 3.11 (×1.242) kcal/mol	Duus 1955
0.000	455.2	HF (l) → HF (aq, 400 H2O)	Δ_rH°(298.15 K) = -4.636 ± 0.1 kcal/mol	Guntz 1883, Johnson 1973

References (for your convenience, also available in RIS and BibTex format)

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. 1.122g of the Thermochemical Network (2019); available at ATcT.anl.gov
4		J. P. Porterfield, D. H. Bross, B. Ruscic, J. H. Thorpe, T. L. Nguyen, J. H. Baraban, J. F. Stanton, J. W. Daily, and G. B. Ellison, Thermal Decomposition of Potential Ester Biofuels, Part I: Methyl Acetate and Methyl Butanoate. J. Chem. Phys. A 121, 4658-4677 (2017) [DOI: 10.1021/acs.jpca.7b02639] (Veronica Vaida Festschrift)
5		Y.-C. Chang, B. Xiong, D. H. Bross, B. Ruscic, and C. Y. Ng, A Vacuum Ultraviolet laser Pulsed Field Ionization-Photoion Study of Methane (CH4): Determination of the Appearance Energy of Methylium From Methane with Unprecedented Precision and the Resulting Impact on the Bond Dissociation Energies of CH4 and CH4+. Phys. Chem. Chem. Phys. 19, 9592-9605 (2017) [DOI: 10.1039/c6cp08200a] (part of 2017 PCCP Hot Articles collection)
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 1.122g of the Thermochemical Network [3]

Top contributors to the provenance of ΔfH° of HF (l)

Top 10 species with enthalpies of formation correlated to the ΔfH° of HF (l)

Most Influential reactions involving HF (l)

Top contributors to the provenance of Δ_fH° of HF (l)

Top 10 species with enthalpies of formation correlated to the Δ_fH° of HF (l)