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

This version of ATcT results was generated from an expansion of version 1.122q [4, 5] to include a non-rigid rotor anharmonic oscillator (NRRAO) partition function for hydroxymethyl [6], as well as data on 42 additional species, some of which are related to soot formation mechanisms.

Species Name	Formula	Image	Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
Ammonium chloride	(NH4)Cl (cr)		-311.556	-314.718	± 0.063	kJ/mol	53.49120 ± 0.00095	12125-02-9*510

Top contributors to the provenance of Δ_fH° of (NH4)Cl (cr)

The 9 contributors listed below account for 71.3% of the provenance of Δ_fH° of (NH4)Cl (cr).

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
25.4	1449.1	NH3 (g) → NH3 (aq, undissoc)	Δ_rH°(298.15 K) = -8.448 ± 0.015 kcal/mol	Vanderzee 1972
9.1	1392.1	1/2 N2 (g) + 3/2 H2 (g) → NH3 (g)	Δ_rH°(298.15 K) = -10.885 ± 0.010 kcal/mol	Larson 1923, Vanderzee 1972
8.5	1459.5	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rG°(298.15 K) = -7.092 ± 0.020 kJ/mol	CODATA Key Vals
6.3	1449.2	NH3 (g) → NH3 (aq, undissoc)	Δ_rH°(298.15 K) = -8.456 ± 0.030 kcal/mol	Stavaley 1971, Vanderzee 1972, as quoted by CODATA Key Vals
6.3	1449.7	NH3 (g) → NH3 (aq, undissoc)	Δ_rH°(298.15 K) = -8.456 ± 0.030 kcal/mol	Staveley 1971, Vanderzee 1972
4.6	1391.5	1/2 N2 (g) + 3/2 H2 (g) → NH3 (g)	Δ_rH°(298.15 K) = -10.875 ± 0.014 kcal/mol	Schulz 1966, Vanderzee 1972
4.4	1455.1	[NH4]+ (aq) → NH3 (aq, undissoc) + H+ (aq)	Δ_rG°(298.15 K) = 52.771 ± 0.020 kJ/mol	Bates 1950, Bates 1949, Bates 1943, Bates 1946
3.3	1458.1	N2 (g) + 3 H2O (cr,l) + 2 H+ (aq) → 3/2 O2 (g) + 2 [NH4]+ (aq)	Δ_rH°(298.15 K) = 141.292 ± 0.119 kcal/mol	Vanderzee 1972c
2.8	693.1	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

Top 10 species with enthalpies of formation correlated to the Δ_fH° of (NH4)Cl (cr)

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°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
88.0	Ammonium	[NH4]+ (aq)		-133.075	± 0.056	kJ/mol	18.03795 ± 0.00029	14798-03-9*800
83.3	Ammonia	NH3 (aq, undissoc)		-80.885	± 0.053	kJ/mol	17.03056 ± 0.00022	7664-41-7*1000
75.9	Ammonium hydroxide	NH4OH (aq, undissoc)		-366.712	± 0.061	kJ/mol	35.04584 ± 0.00047	1336-21-6*1000
43.7	Ammonia	NH3 (g)	-38.565	-45.558	± 0.029	kJ/mol	17.03056 ± 0.00022	7664-41-7*0
43.7	Azanylium	[NH3]+ (g)	944.272	937.317	± 0.029	kJ/mol	17.03001 ± 0.00022	19496-55-0*0
34.2	Hydrogen chloride	HCl (aq)		-166.992	± 0.023	kJ/mol	36.46064 ± 0.00090	7647-01-0*800
34.2	Chloride	Cl- (aq)		-166.992	± 0.023	kJ/mol	35.45325 ± 0.00090	16887-00-6*800
32.2	Hydrogen chloride	HCl (aq, 2000 H2O)		-166.683	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*841
32.1	Hydrogen chloride	HCl (aq, 2439 H2O)		-166.713	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*951
32.1	Hydrogen chloride	HCl (aq, 1000 H2O)		-166.565	± 0.024	kJ/mol	36.46064 ± 0.00090	7647-01-0*839

Most Influential reactions involving (NH4)Cl (cr)

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
0.951	1459.5	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rG°(298.15 K) = -7.092 ± 0.020 kJ/mol	CODATA Key Vals
0.022	1459.4	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rH°(298.15 K) = 3.533 ± 0.015 (×2.089) kcal/mol	Parker 1965, as quoted by CODATA Key Vals
0.016	1451.6	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(298.15 K) = 42.20 ± 0.06 (×1.719) kcal/mol	Braune 1928, JANAF 3, 3rd Law
0.013	1459.1	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rH°(298.15 K) = 3.542 ± 0.005 (×8.175) kcal/mol	Vanderzee 1972a
0.010	1451.7	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(298.15 K) = 42.43 ± 0.09 (×1.445) kcal/mol	Rodebush 1929, JANAF 3, 2nd Law
0.005	1452.7	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rG°(556.8 K) = 21.057 ± 0.618 (×1.215) kJ/mol	Markowitz 1962, 3rd Law
0.005	1452.4	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(335 K) = 175.825 ± 0.759 kJ/mol	Wagner 1961, 2nd Law
0.004	1451.2	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rG°(587.4 K) = 3.132 ± 0.028 (×6.874) kcal/mol	Smith 1914, 3rd Law
0.003	1451.4	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(298.15 K) = 42.14 ± 0.22 kcal/mol	Smits 1928, JANAF 3, 3rd Law
0.003	1451.3	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(298.15 K) = 42.16 ± 0.22 kcal/mol	Smits 1928, JANAF 3, 2nd Law
0.003	1451.8	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(298.15 K) = 42.08 ± 0.09 (×2.484) kcal/mol	Rodebush 1929, JANAF 3, 3rd Law
0.003	1459.3	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rH°(298.15 K) = 14.98 ± 0.20 (×1.646) kJ/mol	Makarov 1967, as quoted by CODATA Key Vals
0.003	1459.2	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rH°(298.15 K) = 14.979 ± 0.080 (×4.177) kJ/mol	Tsvetkov 1969, as quoted by CODATA Key Vals
0.002	1451.5	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(298.15 K) = 42.02 ± 0.06 (×4.757) kcal/mol	Braune 1928, JANAF 3, 2nd Law
0.000	1451.1	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(587.4 K) = 39.54 ± 0.58 kcal/mol	Smith 1914, 2nd Law
0.000	1452.8	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(556.8 K) = 162.04 ± 4.28 kJ/mol	Markowitz 1962, 2nd Law
0.000	1451.9	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rG°(603 K) = 9.52 ± 5 kJ/mol	Johnson 1909, 3rd Law, est unc
0.000	1451.10	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(603 K) = 158.7 ± 10 kJ/mol	Johnson 1909, 2nd Law, est unc

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. 1.122r of the Thermochemical Network, Argonne National Laboratory, Lemont, Illinois 2021 [DOI: 10.17038/CSE/1822363]; available at ATcT.anl.gov
4		D. Feller, D. H. Bross, and B. Ruscic, Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach. J. Phys. Chem. A 123, 3481-3496 (2019) [DOI: 10.1021/acs.jpca.8b12329]
5		B. K. Welch, R. Dawes, D. H. Bross, and B. Ruscic, An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families. J. Phys. Chem. A 123, 5673-5682 (2019) [DOI: 10.1021/acs.jpca.8b12329]
6		D. H. Bross, H.-G. Yu, L. B. Harding, and B. Ruscic, Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited. J. Phys. Chem. A 123, 4212-4231 (2019) [DOI: 10.1021/acs.jpca.9b02295]
7		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 [7]).
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 1.122r of the Thermochemical Network [3]

Top contributors to the provenance of ΔfH° of (NH4)Cl (cr)

Top 10 species with enthalpies of formation correlated to the ΔfH° of (NH4)Cl (cr)

Most Influential reactions involving (NH4)Cl (cr)

Top contributors to the provenance of Δ_fH° of (NH4)Cl (cr)

Top 10 species with enthalpies of formation correlated to the Δ_fH° of (NH4)Cl (cr)