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

This version of ATcT results was partially described in Ruscic et al. [4], and was also used for the initial development of high-accuracy ANLn composite electronic structure methods [5].

Species Name	Formula	Image	Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
Hydrogen chloride	HCl (aq, 200 H2O)			-166.107	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*830

Top contributors to the provenance of Δ_fH° of HCl (aq, 200 H2O)

The 12 contributors listed below account for 90.6% of the provenance of Δ_fH° of HCl (aq, 200 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
21.8	617.1	HCl (g) → HCl (aq)	Δ_rH°(298.15 K) = -17.884 ± 0.010 kcal/mol	Gunn 1963, Gunn 1964, as quoted by CODATA Key Vals, Vanderzee 1963
15.3	617.4	HCl (g) → HCl (aq)	Δ_rG°(298.15 K) = -36.009 ± 0.050 kJ/mol	Aston 1955, as quoted by CODATA Key Vals
15.3	617.5	HCl (g) → HCl (aq)	Δ_rG°(298.15 K) = -36.015 ± 0.050 kJ/mol	Bates 1919, as quoted by CODATA Key Vals
15.0	619.1	HCl (g) → HCl (aq, 2439 H2O)	Δ_rH°(298.15 K) = -17.810 ± 0.012 kcal/mol	Vanderzee 1963
5.9	617.3	HCl (g) → HCl (aq)	Δ_rG°(298.15 K) = -35.960 ± 0.080 kJ/mol	Haase 1963, as quoted by CODATA Key Vals
5.2	615.1	1/2 H2 (g) + 1/2 Cl2 (g) → HCl (aq)	Δ_rG°(298.15 K) = -31.320 ± 0.020 (×1.091) kcal/mol	Cerquetti 1968
3.1	625.2	HCl (aq, 200 H2O) → HCl (aq)	Δ_rH°(298.15 K) = -0.212 ± 0.004 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989
2.3	632.1	HCl (aq, 200 H2O) → HCl (aq, 600 H2O)	Δ_rH°(298.15 K) = -0.083 ± 0.002 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989
2.2	603.1	HCl (g) → H+ (g) + Cl- (g)	Δ_rH°(0 K) = 116289.0 ± 0.6 cm-1	Martin 1998, note HCl
1.5	615.2	1/2 H2 (g) + 1/2 Cl2 (g) → HCl (aq)	Δ_rH°(298.15 K) = -39.891 ± 0.040 kcal/mol	Cerquetti 1968
1.4	624.2	HCl (aq, 150 H2O) → HCl (aq)	Δ_rH°(298.15 K) = -0.242 ± 0.004 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989
1.2	631.1	HCl (aq, 150 H2O) → HCl (aq, 200 H2O)	Δ_rH°(298.15 K) = -0.030 ± 0.002 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989

Top 10 species with enthalpies of formation correlated to the Δ_fH° of HCl (aq, 200 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
95.2	Hydrogen chloride	HCl (aq, 600 H2O)	-166.454	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*834
95.1	Hydrogen chloride	HCl (aq, 150 H2O)	-165.981	± 0.025	kJ/mol	36.46064 ± 0.00090	7647-01-0*829
93.3	Hydrogen chloride	HCl (aq)	-166.994	± 0.023	kJ/mol	36.46064 ± 0.00090	7647-01-0*800
93.3	Chloride	Cl- (aq)	-166.994	± 0.023	kJ/mol	35.45325 ± 0.00090	16887-00-6*800
92.2	Hydrogen chloride	HCl (aq, 1000 H2O)	-166.567	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*839
91.3	Hydrogen chloride	HCl (aq, 100 H2O)	-165.760	± 0.025	kJ/mol	36.46064 ± 0.00090	7647-01-0*828
90.7	Hydrogen chloride	HCl (aq, 2000 H2O)	-166.685	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*841
89.8	Hydrogen chloride	HCl (aq, 140 H2O)	-165.948	± 0.026	kJ/mol	36.46064 ± 0.00090	7647-01-0*907
89.5	Hydrogen chloride	HCl (aq, 2439 H2O)	-166.715	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*951
89.0	Hydrogen chloride	HCl (aq, 3000 H2O)	-166.743	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*842

Most Influential reactions involving HCl (aq, 200 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
0.790	631.1	HCl (aq, 150 H2O) → HCl (aq, 200 H2O)	Δ_rH°(298.15 K) = -0.030 ± 0.002 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989
0.767	632.1	HCl (aq, 200 H2O) → HCl (aq, 600 H2O)	Δ_rH°(298.15 K) = -0.083 ± 0.002 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989
0.260	625.2	HCl (aq, 200 H2O) → HCl (aq)	Δ_rH°(298.15 K) = -0.212 ± 0.004 kcal/mol	Parker 1965, NBS TN270, NBS Tables 1989

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. 1.122 of the Thermochemical Network (2016); available at ATcT.anl.gov
4		B. Ruscic, Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry. J. Phys. Chem. A 119, 7810-7837 (2015) [DOI: 10.1021/acs.jpca.5b01346]
5		S. J. Klippenstein, L. B. Harding, and B. Ruscic, Ab initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species. J. Phys. Chem. A 121, 6580-6602 (2017) [DOI: 10.1021/acs.jpca.7b05945]
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 1.122 of the Thermochemical Network [3]

Top contributors to the provenance of ΔfH° of HCl (aq, 200 H2O)

Top 10 species with enthalpies of formation correlated to the ΔfH° of HCl (aq, 200 H2O)

Most Influential reactions involving HCl (aq, 200 H2O)

Top contributors to the provenance of Δ_fH° of HCl (aq, 200 H2O)

Top 10 species with enthalpies of formation correlated to the Δ_fH° of HCl (aq, 200 H2O)