Selected ATcT [1, 2] enthalpy of formation based on version 1.130 of the Thermochemical Network [3]

This version of ATcT results[4] was generated by additional expansion of version 1.128 [5,6] to include with the calculations provided in reference [4].

Nitrous oxide

Formula: NNO (g)

CAS RN: 10024-97-2

ATcT ID: 10024-97-2*0

SMILES: [N-]=[N+]=O

InChI: InChI=1S/N2O/c1-2-3

InChIKey: GQPLMRYTRLFLPF-UHFFFAOYSA-N

Hills Formula: N2O1

2D Image:

Aliases: NNO; Nitrous oxide; Oxodiazen-2-ium-1-ide; Nitrogen oxide; Dinitrogen oxide; Laughing gas; Hyponitrous acid anhydride; Factitious air; N2O; ONN

Relative Molecular Mass: 44.01288 ± 0.00033

Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units
86.022	82.593	± 0.096	kJ/mol

3D Image of NNO (g)

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Top contributors to the provenance of Δ_fH° of NNO (g)

The 6 contributors listed below account for 90.3% of the provenance of Δ_fH° of NNO (g).

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
71.3	1519.1	NNO (g) + H2 (g) → H2O (cr,l) + N2 (g)	Δ_rH°(293.15 K) = -368.578 ± 0.109 kJ/mol	Fenning 1933, note N2Oa
15.3	1517.4	NNO (g) + CO (g) → CO2 (g) + N2 (g)	Δ_rH°(293.15 K) = -365.642 ± 0.243 kJ/mol	Fenning 1933, note N2Oa
1.1	1518.1	NNO (g) → N2 (g) + 1/2 O2 (g)	Δ_rH°(293.15 K) = -19.53 ± 0.08 (×2.709) kcal/mol	Carlton-Sutton 1936
0.9	1523.1	NNO (g) → [N2]+ (g) + O- (g)	Δ_rH°(0 K) = 15.784 ± 0.010 eV	Mitsuke 1990
0.8	121.2	1/2 O2 (g) + H2 (g) → H2O (cr,l)	Δ_rH°(298.15 K) = -285.8261 ± 0.040 kJ/mol	Rossini 1939, Rossini 1931, Rossini 1931b, note H2Oa, Rossini 1930
0.7	1518.2	NNO (g) → N2 (g) + 1/2 O2 (g)	Δ_rH°(733 K) = -81.7 ± 0.4 (×2.768) kJ/mol	Wittig 1959

Top 10 species with enthalpies of formation correlated to the Δ_fH° of NNO (g)

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
86.2	Nirous oxide cation	[NNO]+ (g)	1329.70	1326.80	± 0.12	kJ/mol	44.01233 ± 0.00033	12269-46-4*0
16.9	Water	H2O (g, ortho)	-238.617	-241.805	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*1
16.9	Water	H2O (g, para)	-238.902	-241.805	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*2
16.9	Water	H2O (g)	-238.902	-241.805	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*0
16.9	Water	H2O (cr, l, eq.press.)	-286.274	-285.801	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*499
16.9	Water	H2O (l, eq.press.)		-285.801	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*589
16.9	Oxonium	[H3O]+ (aq)		-285.800	± 0.022	kJ/mol	19.02267 ± 0.00037	13968-08-6*800
16.9	Water	H2O (l)		-285.800	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*590
16.9	Water	H2O (cr,l)	-286.272	-285.800	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*500
16.9	Water	H2O (cr)	-286.272	-292.712	± 0.022	kJ/mol	18.01528 ± 0.00033	7732-18-5*510

Most Influential reactions involving NNO (g)

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
0.880	1511.1	NNO (g) → [NNO]+ (g)	Δ_rH°(0 K) = 103963 ± 5 cm-1	Wiedmann 1991
0.752	1519.1	NNO (g) + H2 (g) → H2O (cr,l) + N2 (g)	Δ_rH°(293.15 K) = -368.578 ± 0.109 kJ/mol	Fenning 1933, note N2Oa
0.163	1517.4	NNO (g) + CO (g) → CO2 (g) + N2 (g)	Δ_rH°(293.15 K) = -365.642 ± 0.243 kJ/mol	Fenning 1933, note N2Oa
0.162	1532.3	[O(NN)]- (g) → NNO (g)	Δ_rH°(0 K) = -3 ± 7 kJ/mol	Kryachko 2001, est unc
0.145	1513.9	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.141 ± 0.050 eV	Ruscic W1RO
0.110	1538.7	NNO (g) → NON (g)	Δ_rH°(0 K) = 110.25 ± 1.2 kcal/mol	Ruscic CBS-n
0.105	1529.7	NNO (g) → O(NN) (g)	Δ_rH°(0 K) = 63.76 ± 1.2 kcal/mol	Ruscic W1RO
0.097	1513.5	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.135 ± 0.061 eV	Ruscic G4
0.093	1538.4	NNO (g) → NON (g)	Δ_rH°(0 K) = 109.76 ± 1.3 kcal/mol	Ruscic G4
0.089	1529.4	NNO (g) → O(NN) (g)	Δ_rH°(0 K) = 63.33 ± 1.3 kcal/mol	Ruscic G4
0.086	1532.2	[O(NN)]- (g) → NNO (g)	Δ_rH°(0 K) = -3.25 ± 2.3 kcal/mol	Ruscic G3
0.080	1538.3	NNO (g) → NON (g)	Δ_rH°(0 K) = 109.50 ± 1.4 kcal/mol	Ruscic G3X
0.077	1529.3	NNO (g) → O(NN) (g)	Δ_rH°(0 K) = 64.48 ± 1.4 kcal/mol	Ruscic G3X
0.059	1529.6	NNO (g) → O(NN) (g)	Δ_rH°(0 K) = 63.38 ± 1.6 kcal/mol	Ruscic CBS-n
0.055	1511.2	NNO (g) → [NNO]+ (g)	Δ_rH°(0 K) = 103980 ± 20 cm-1	Frey 1978
0.050	1513.4	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.173 ± 0.085 eV	Ruscic G3X
0.044	1513.8	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.140 ± 0.090 eV	Ruscic CBS-n
0.042	1513.7	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.143 ± 0.092 eV	Ruscic CBS-n
0.036	1513.10	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.149 ± 0.1 eV	McCarthy 1999, Suter 2004, est unc
0.036	1513.1	[NNO]- (g) → NNO (g)	Δ_rH°(0 K) = -0.15 ± 0.1 eV	Nalley 1973

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. 1.130 of the Thermochemical Network. Argonne National Laboratory, Lemont, Illinois 2023; available at ATcT.anl.gov [DOI: 10.17038/CSE/1997229]
4		N. Genossar, P. B. Changala, B. Gans, J.-C. Loison, S. Hartweg, M.-A. Martin-Drumel, G. A. Garcia, J. F. Stanton, B. Ruscic, and J. H. Baraban Ring-Opening Dynamics of the Cyclopropyl Radical and Cation: the Transition State Nature of the Cyclopropyl Cation J. Am. Chem. Soc. 144, 18518-18525 (2022) [DOI: 10.1021/jacs.2c07740]
5		B. Ruscic and D. H. Bross Active Thermochemical Tables: The Thermophysical and Thermochemical Properties of Methyl, CH3, and Methylene, CH2, Corrected for Nonrigid Rotor and Anharmonic Oscillator Effects. Mol. Phys. e1969046 (2021) [DOI: 10.1080/00268976.2021.1969046]
6		J. H. Thorpe, J. L. Kilburn, D. Feller, P. B. Changala, D. H. Bross, B. Ruscic, and J. F. Stanton, Elaborated Thermochemical Treatment of HF, CO, N2, and H2O: Insight into HEAT and Its Extensions J. Chem. Phys. 155, 184109 (2021) [DOI: 10.1063/5.0069322]
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]
8		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 [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.