Selected ATcT [1, 2] enthalpy of formation based on version 1.176 of the Thermochemical Network [3]

This version of ATcT results[3] was generated by additional expansion of version 1.172 to include species related to Criegee intermediates that are involved in several ongoing studies[4].

Ammonium chloride

Formula: (NH4)Cl (cr)

CAS RN: 12125-02-9

ATcT ID: 12125-02-9*510

SMILES: [NH4+].[Cl-]

InChI: InChI=1S/ClH.H3N/h1H;1H3

InChIKey: NLXLAEXVIDQMFP-UHFFFAOYSA-N

Hills Formula: Cl1H4N1

2D Image:

Aliases: (NH4)Cl; Ammonium chloride; Salmiac; Ammonium muriate; Amchlor; Ammoneric; Darammon; Salammonite; Ammonium uriate; Katapone VV-328; Quaternary ammonium chloride

Relative Molecular Mass: 53.49120 ± 0.00095

Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units
-311.555	-314.717	± 0.062	kJ/mol

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

The 20 contributors listed below account only for 87.2% of the provenance of Δ_fH° of (NH4)Cl (cr).
A total of 24 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
25.7	1726.1	NH3 (g) → NH3 (aq, undissoc)	Δ_rH°(298.15 K) = -8.448 ± 0.015 kcal/mol	Vanderzee 1972
9.1	1662.1	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
8.6	1732.5	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rG°(298.15 K) = -7.092 ± 0.020 kJ/mol	CODATA Key Vals
6.4	1726.2	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
6.4	1726.7	NH3 (g) → NH3 (aq, undissoc)	Δ_rH°(298.15 K) = -8.456 ± 0.030 kcal/mol	Staveley 1971, Vanderzee 1972
4.6	1661.5	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
3.4	1731.1	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
3.3	1728.1	[NH4]+ (aq) → NH3 (aq, undissoc) + H+ (aq)	Δ_rG°(298.15 K) = 52.771 ± 0.020 kJ/mol	Bates 1950, Bates 1950, Bates 1949, Bates 1943, Bates 1946
2.9	801.1	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, NBS Tables 1989
2.3	1726.3	NH3 (g) → NH3 (aq, undissoc)	Δ_rH°(298.15 K) = -8.442 ± 0.050 kcal/mol	Thomsen 1873, Vanderzee 1972
2.0	801.5	HCl (g) → HCl (aq)	Δ_rG°(298.15 K) = -36.015 ± 0.050 kJ/mol	Bates 1919, as quoted by CODATA Key Vals
2.0	801.4	HCl (g) → HCl (aq)	Δ_rG°(298.15 K) = -36.009 ± 0.050 kJ/mol	Aston 1955, as quoted by CODATA Key Vals
1.9	803.1	HCl (g) → HCl (aq, 2439 H2O)	Δ_rH°(298.15 K) = -17.810 ± 0.012 kcal/mol	Vanderzee 1963
1.8	1661.4	1/2 N2 (g) + 3/2 H2 (g) → NH3 (g)	Δ_rH°(298.15 K) = -10.910 ± 0.015 (×1.477) kcal/mol	Larson 1924, Vanderzee 1972
1.4	1730.1	NH3 (g) + HON(O)O (aq) → [NH4]+ (aq) + [ON(O)O]- (aq)	Δ_rH°(298.15 K) = -87.23 ± 0.25 (×1.164) kJ/mol	Becker 1934, Vanderzee 1972a, as quoted by CODATA Key Vals
1.2	1722.6	(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
0.9	1725.3	(NH4)NO3 (cr,l) → N2 (g) + 1/2 O2 (g) + 2 H2O (cr,l)	Δ_rH°(293.65 K) = -49.44 ± 0.06 kcal/mol	Becker 1934
0.8	1731.3	N2 (g) + 3 H2O (cr,l) + 2 H+ (aq) → 3/2 O2 (g) + 2 [NH4]+ (aq)	Δ_rH°(298.15 K) = 141.226 ± 0.239 kcal/mol	Becker 1934, as quoted by CODATA Key Vals
0.7	1722.7	(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
0.7	801.3	HCl (g) → HCl (aq)	Δ_rG°(298.15 K) = -35.960 ± 0.080 kJ/mol	Haase 1963, as quoted by CODATA Key Vals

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
87.8	Ammonium	[NH4]+ (aq)		-133.076	± 0.056	kJ/mol	18.03795 ± 0.00029	14798-03-9*800
87.6	Ammonia	NH3 (aq)		-77.033	± 0.056	kJ/mol	17.03056 ± 0.00022	7664-41-7*800
83.8	Ammonia	NH3 (aq, undissoc)		-80.884	± 0.053	kJ/mol	17.03056 ± 0.00022	7664-41-7*1000
81.8	Ammonium hydroxide	NH4OH (aq)		-362.837	± 0.061	kJ/mol	35.04584 ± 0.00047	1336-21-6*800
78.0	Ammonium hydroxide	NH4OH (aq, undissoc)		-366.688	± 0.059	kJ/mol	35.04584 ± 0.00047	1336-21-6*1000
43.8	Azanylium	[NH3]+ (g)	944.273	937.319	± 0.029	kJ/mol	17.03001 ± 0.00022	19496-55-0*0
43.8	Ammonia	NH3 (g)	-38.564	-45.556	± 0.029	kJ/mol	17.03056 ± 0.00022	7664-41-7*0
34.9	Ammonium bromide	(NH4)Br (cr)	-253.27	-269.84	± 0.14	kJ/mol	97.9425 ± 0.0010	12124-97-9*510
34.3	Chloride	Cl- (aq)		-166.990	± 0.023	kJ/mol	35.45325 ± 0.00090	16887-00-6*800
34.3	Hydrogen chloride	HCl (aq)		-166.990	± 0.023	kJ/mol	36.46064 ± 0.00090	7647-01-0*800

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	1732.5	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rG°(298.15 K) = -7.092 ± 0.020 kJ/mol	CODATA Key Vals
0.022	1732.4	(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	1722.6	(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	1732.1	(NH4)Cl (cr) → [NH4]+ (aq) + Cl- (aq)	Δ_rH°(298.15 K) = 3.542 ± 0.005 (×8.175) kcal/mol	Vanderzee 1972a
0.010	1722.7	(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	1723.7	(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	1723.4	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(335 K) = 175.825 ± 0.759 kJ/mol	Wagner 1961, 2nd Law
0.004	1722.2	(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	1722.3	(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	1722.4	(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	1732.3	(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	1722.8	(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	1732.2	(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	1722.5	(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	1722.1	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(587.4 K) = 39.54 ± 0.58 kcal/mol	Smith 1914, 2nd Law
0.000	1723.8	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(556.8 K) = 162.04 ± 4.28 kJ/mol	Markowitz 1962, 2nd Law
0.000	1722.9	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rG°(603 K) = 9.52 ± 5 kJ/mol	Johnson 1909, 3rd Law, est unc
0.000	1722.10	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(603 K) = 158.7 ± 10 kJ/mol	Johnson 1909, 2nd Law, est unc
0.000	1723.9	(NH4)Cl (cr) → NH3 (g) + HCl (g)	Δ_rH°(798 K) = 40.28 ± 0.5 (×5.076) kcal/mol	Luft 1955, JANAF 3, 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. 1.176 of the Thermochemical Network (2024); available at ATcT.anl.gov
4		T. L. Nguyen et al, ongoing studies (2024)
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.