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

This version of ATcT results was generated from an expansion of version 1.122o [4] to include an updated enthalpy of formation for Hydrazine. [5].

Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass		 ATcT ID
DioxohydrazineONNO (g, cis)O=NN=O172.89171.12± 0.14kJ/mol60.01228 ±
0.00062		16824-89-8*2

Representative Geometry of ONNO (g, cis)

spin ON           spin OFF
          

Top contributors to the provenance of ΔfH° of ONNO (g, cis)

The 20 contributors listed below account only for 85.1% of the provenance of ΔfH° of ONNO (g, cis).
A total of 34 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
19.71209.1 NO (g) → N (g) + O (g) ΔrH°(0 K) = 52400 ± 10 cm-1Callear 1970
19.71209.2 NO (g) → N (g) + O (g) ΔrH°(0 K) = 52400 ± 10 cm-1Dingle 1975
15.81209.4 NO (g) → N (g) + O (g) ΔrH°(0 K) = 52408 ± 10 (×1.114) cm-1Kley 1973, Miescher 1974, est unc
9.81364.3 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 697 ± 4 cm-1Wade 2002, note NO, Gero 1948, Brown 1972, Huber 1979
3.51209.3 NO (g) → N (g) + O (g) ΔrH°(0 K) = 52420 ± 12 (×1.957) cm-1Miescher 1974, Huber 1979
2.91162.3 N2 (g) → N+ (g) + N (g) ΔrH°(0 K) = 24.2880 ± 0.0009 eVTang 2005
2.31162.1 N2 (g) → N+ (g) + N (g) ΔrH°(0 K) = 24.2888 ± 0.0010 eVTang 2005
2.31162.2 N2 (g) → N+ (g) + N (g) ΔrH°(0 K) = 24.2883 ± 0.0010 eVTang 2005
1.51440.3 (NH4)NO3 (cr,l) → N2 (g) + 1/2 O2 (g) + 2 H2O (cr,l) ΔrH°(293.65 K) = -49.44 ± 0.06 kcal/molBecker 1934
0.91212.4 NO (g) → N (g) + O (g) ΔrH°(0 K) = 626.47 ± 0.56 kJ/molHarding 2008
0.91364.1 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 711 ± 10 (×1.325) cm-1Potter 2003
0.71211.10 NO (g) → N (g) + O (g) ΔrH°(0 K) = 149.82 ± 0.15 kcal/molKarton 2007a, Karton 2008
0.61209.6 NO (g) → N (g) + O (g) ΔrH°(0 K) = 6.503 ± 0.004 (×1.682) eVBrewer 1956, Frisch 1965
0.61594.4 HNO (g) → H (g) + N (g) + O (g) ΔrH°(0 K) = 823.10 ± 0.56 kJ/molHarding 2008
0.61210.10 NO (g) → N (g) + O (g) ΔrH°(0 K) = 149.78 ± 0.16 kcal/molFeller 2014
0.51212.2 NO (g) → N (g) + O (g) ΔrH°(0 K) = 626.74 ± 0.70 kJ/molHarding 2008
0.51223.1 1/2 N2 (g) + 1/2 O2 (g) → NO (g) ΔrH°(0 K) = 90.0 ± 0.8 kJ/molSzakacs 2011
0.51600.4 HNO (g) → H (g) + NO (g) ΔrH°(0 K) = 16450 ± 10 cm-1Dixon 1981, Dixon 1984, Dixon 1996
0.51212.3 NO (g) → N (g) + O (g) ΔrH°(0 K) = 626.13 ± 0.74 kJ/molHarding 2008
0.51212.1 NO (g) → N (g) + O (g) ΔrH°(0 K) = 626.22 ± 0.75 kJ/molTajti 2004, est unc

Top 10 species with enthalpies of formation correlated to the ΔfH° of ONNO (g, cis)

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 Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass		 ATcT ID
100.0 DioxohydrazineONNO (g)O=NN=O172.89171.12± 0.14kJ/mol60.01228 ±
0.00062		16824-89-8*0
94.3 Nitric oxideNO (g)[N]=O90.61791.121± 0.065kJ/mol30.00614 ±
0.00031		10102-43-9*0
94.2 Nitrogen dioxideONO (g)O=[N]=O36.85634.049± 0.065kJ/mol46.00554 ±
0.00060		10102-44-0*0
94.1 Nitrosyl ion[NO]+ (g)N#[O+]984.485984.480± 0.065kJ/mol30.00559 ±
0.00031		14452-93-8*0
91.6 Dinitrogen tetraoxideO2NNO2 (g)O=N(=O)N(=O)=O20.1510.86± 0.14kJ/mol92.0111 ±
0.0012		10544-72-6*0
91.0 Nitrosyl chlorideClNO (g)ClN=O54.45152.549± 0.067kJ/mol65.45884 ±
0.00095		2696-92-6*0
84.7 Nitrogen sesquioxideONN(O)O (g)O=N-[N](=O)[O]90.7286.15± 0.15kJ/mol76.01168 ±
0.00091		10544-73-7*0
77.7 Nitrous acidHONO (g)N(=O)O-73.008-78.665± 0.078kJ/mol47.01348 ±
0.00061		7782-77-6*0
77.7 Nitrous acidHONO (g, trans)N(=O)O-73.008-79.152± 0.078kJ/mol47.01348 ±
0.00061		7782-77-6*1
66.5 Dinitrogen tetraoxideO2NNO2 (cr,l)O=N(=O)N(=O)=O-37.87-27.02± 0.19kJ/mol92.0111 ±
0.0012		10544-72-6*500

Most Influential reactions involving ONNO (g, cis)

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
1.0001367.1 ONNO (g, cis) → ONNO (g) ΔrH°(0 K) = 0 ± 0 cm-1Ruscic G3X, Ruscic W1RO, Ruscic G4
0.8951364.3 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 697 ± 4 cm-1Wade 2002, note NO, Gero 1948, Brown 1972, Huber 1979
0.2261366.2 ONNO (g, cis) → ONNO (g, trans) ΔrH°(0 K) = 1595 ± 310 cm-1Ruscic G4
0.2261366.4 ONNO (g, cis) → ONNO (g, trans) ΔrH°(0 K) = 1333 ± 310 cm-1Ruscic CBS-n
0.2191366.1 ONNO (g, cis) → ONNO (g, trans) ΔrH°(0 K) = 1854 ± 315 cm-1Ruscic G3X
0.1771366.3 ONNO (g, cis) → ONNO (g, trans) ΔrH°(0 K) = 1399 ± 350 cm-1Ruscic CBS-n
0.1501366.5 ONNO (g, cis) → ONNO (g, trans) ΔrH°(0 K) = 1998 ± 300 (×1.269) cm-1Ruscic W1RO
0.0811364.1 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 711 ± 10 (×1.325) cm-1Potter 2003
0.0091364.8 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 710 ± 40 cm-1Hetzler 1991
0.0041364.5 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 638.7 ± 35 (×1.719) cm-1Howard 1993, 3rd Law
0.0031364.4 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 764 ± 36 (×1.874) cm-1Dkhissi 1997, 2nd Law, note unc
0.0021364.12 ONNO (g, cis) → 2 NO (g) ΔrH°(120 K) = 2.45 ± 0.2 kcal/molDinerman 1970
0.0011364.10 ONNO (g, cis) → 2 NO (g) ΔrH°(128 K) = 2.338 ± 0.25 (×1.044) kcal/molMenoux 1984, 2nd Law
0.0011364.11 ONNO (g, cis) → 2 NO (g) ΔrH°(120 K) = 2.24 ± 0.2 (×1.682) kcal/molBillingsley 1971, 2nd Law, note unc
0.0001364.7 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 800 ± 150 cm-1Casassa 1988
0.0001364.9 ONNO (g, cis) → 2 NO (g) ΔrH°(128 K) = 2.166 ± 0.25 (×1.719) kcal/molMenoux 1984, 2nd Law
0.0001365.9 ONNO (g, cis) → 2 NO (g) ΔrH°(0 K) = 8.7 ± 4 kJ/molGonzalez-Luque 1994, est unc, Menoux 1984, Casassa 1988
0.0001364.13 ONNO (g, cis) → 2 NO (g) ΔrH°(316 K) = 1.07 ± 0.5 (×3.152) kcal/molForte 1978, 2nd Law, est unc
0.0001364.14 ONNO (g, cis) → 2 NO (g) ΔrG°(298.15 K) = -4.97 ± 0.5 (×3.589) kcal/molScott 1966, Guggenheim 1966, 3rd Law
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 21st 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. 1.122p of the Thermochemical Network (2020); available at ATcT.anl.gov
4   P. B. Changala, T. L. Nguyen, J. H. Baraban, G. B. Ellison, J. F. Stanton, D. H. Bross, and B. Ruscic,
Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide.
J. Phys. Chem. A 121, 8799-8806 (2017) [DOI: 10.1021/acs.jpca.7b06221] (highlighted on the journal cover)
5   D. Feller, D. H. Bross, and B. Ruscic,
Enthalpy of Formation of N2H4 (Hydrazine) Revisited.
J. Phys. Chem. A 121, 6187-6198 (2017) [DOI: 10.1021/acs.jpca.7b06017]
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.