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

This version of ATcT results was generated from an expansion of version 1.122v [4] to include species relevant to the study of bond dissociation enthalpies of representative aromatic aldehydes [5].

Species Name Formula Image    ΔfH°(0 K)    ΔfH°(298.15 K) Uncertainty Units Relative
Molecular
Mass		 ATcT ID
DioxosilaneSiO2 (cr,l)O=[Si]=O-906.27-911.25± 0.83kJ/mol60.08430 ±
0.00067		7631-86-9*500

Top contributors to the provenance of ΔfH° of SiO2 (cr,l)

The 7 contributors listed below account for 90.3% of the provenance of ΔfH° of SiO2 (cr,l).

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
35.96928.1 SiO2 (cr,l) + 2 F2 (g) → SiF4 (g) + O2 (g) ΔrH°(298.15 K) = -168.26 ± 0.28 kcal/molWise 1963
31.66889.1 Si (cr,l) + O2 (g) → SiO2 (cr,l) ΔrH°(298.15 K) = -217.58 ± 0.35 kcal/molGood 1964, Good 1962, King 1951
10.26929.1 SiO2 (vitr) + 2 F2 (g) → SiF4 (g) + O2 (g) ΔrH°(298.15 K) = -170.04 ± 0.25 (×2.089) kcal/molWise 1963
6.96927.3 Si (cr,l) + 2 F2 (g) → SiF4 (g) ΔrH°(298.15 K) = -1615.78 ± 0.46 kJ/molJohnson 1986
2.36927.1 Si (cr,l) + 2 F2 (g) → SiF4 (g) ΔrH°(298.15 K) = -385.98 ± 0.19 kcal/molWise 1963, Wise 1962
2.16907.3 SiO2 (cr,l) + H2 (g) → SiO (g) + H2O (g) ΔrH°(1836 K) = 127.10 ± 0.60 (×1.384) kcal/molRamstad 1961, 2nd Law
1.16897.10 SiO (g) → Si (g) + O (g) ΔrH°(0 K) = 190.23 ± 0.30 kcal/molKarton 2011

Top 10 species with enthalpies of formation correlated to the ΔfH° of SiO2 (cr,l)

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 DioxosilaneSiO2 (cr, quartz)O=[Si]=O-906.27-911.25± 0.83kJ/mol60.08430 ±
0.00067		7631-86-9*505
98.2 DioxosilaneSiO2 (vitr)O=[Si]=O-825.82-901.75± 0.84kJ/mol60.08430 ±
0.00067		7631-86-9*520
95.2 DioxosilaneSiO2 (cr, cristobalite)O=[Si]=O-903.57-908.43± 0.87kJ/mol60.08430 ±
0.00067		7631-86-9*510
56.6 DioxosilaneSiO2 (cr, tridymite)O=[Si]=O-901.0-905.8± 1.5kJ/mol60.08430 ±
0.00067		7631-86-9*515
51.8 OxosilyleneSiO (g)[Si]=O-98.70-97.55± 0.62kJ/mol44.08490 ±
0.00042		10097-28-6*0
32.7 TetrafluorosilaneSiF4 (g)[Si](F)(F)(F)F-1609.84-1615.35± 0.37kJ/mol104.07911 ±
0.00030		7783-61-1*0
32.3 SiliconSi (g)[Si]449.73454.07± 0.57kJ/mol28.08550 ±
0.00030		7440-21-3*0
32.3 Silicon anionSi- (g)[Si-]315.67318.65± 0.57kJ/mol28.08605 ±
0.00030		14337-02-1*0
32.3 Silicon cationSi+ (g)[Si+]1236.251240.38± 0.57kJ/mol28.08495 ±
0.00030		14067-07-3*0
32.3 Silicon atom dication[Si]+2 (g)[Si++]2813.392816.37± 0.57kJ/mol28.08440 ±
0.00030		14175-55-4*0

Most Influential reactions involving SiO2 (cr,l)

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
1.0006890.1 SiO2 (cr, quartz) → SiO2 (cr,l) ΔrH°(0 K) = 0 ± 0 cm-1Gurvich TPIS
0.4486928.1 SiO2 (cr,l) + 2 F2 (g) → SiF4 (g) + O2 (g) ΔrH°(298.15 K) = -168.26 ± 0.28 kcal/molWise 1963
0.3166889.1 Si (cr,l) + O2 (g) → SiO2 (cr,l) ΔrH°(298.15 K) = -217.58 ± 0.35 kcal/molGood 1964, Good 1962, King 1951
0.3146905.6 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1618 K) = 37.94 ± 0.29 (×1.576) kcal/molRamstad 1961, 3rd Law, Gurvich TPIS
0.2626905.8 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1403 K) = 54.5 ± 0.5 kcal/molEmons 1972, 3rd Law
0.0446907.3 SiO2 (cr,l) + H2 (g) → SiO (g) + H2O (g) ΔrH°(1836 K) = 127.10 ± 0.60 (×1.384) kcal/molRamstad 1961, 2nd Law
0.0296905.7 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrH°(1618 K) = 162.93 ± 1.5 kcal/molRamstad 1961, 2nd Law
0.0276905.9 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1435 K) = 210.22 ± 2.0 (×3.221) kJ/molKubaschewski 1974, 3rd Law
0.0116907.2 SiO2 (cr,l) + H2 (g) → SiO (g) + H2O (g) ΔrG°(1836 K) = 44.30 ± 0.43 (×3.748) kcal/molRamstad 1961, 3rd Law, Gurvich TPIS
0.0116905.10 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrH°(1435 K) = 683.46 ± 10 kJ/molKubaschewski 1974, 2nd Law
0.0116905.11 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1797 K) = 100.5 ± 10.0 kJ/molTombs 1952, 3rd Law, Gurvich TPIS
0.0106905.1 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1300 K) = 64.9 ± 2.0 (×1.269) kcal/molGeld 1948, Geld 1948a, 3rd Law, Gurvich TPIS
0.0056905.5 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1361 K) = 61.1 ± 0.7 (×5.076) kcal/molGunther 1958, 3rd Law, Gurvich TPIS
0.0036907.1 SiO2 (cr,l) + H2 (g) → SiO (g) + H2O (g) ΔrG°(1623 K) = 228.5 ± 12 kJ/molGrube 1949, 3rd Law, Gurvich TPIS
0.0036905.3 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1398 K) = 50.2 ± 0.5 (×9.11) kcal/molSchafer 1950, 3rd Law, Gurvich TPIS
0.0026905.13 SiO2 (cr,l) + Si (cr,l) → 2 SiO (g) ΔrG°(1377 K) = 213.1 ± 12 (×1.915) kJ/molZmbov 1973, 3rd Law, Gurvich TPIS
0.0026895.1 SiO2 (cr,l) → SiO2 (g) ΔrG°(1855 K) = 258.7 ± 12.5 (×3.513) kJ/molZmbov 1973, Gurvich TPIS, 3rd Law
0.0016903.5 SiO2 (cr,l) → SiO (g) + 1/2 O2 (g) ΔrG°(1956 K) = 322 ± 20 kJ/molShchedrin 1977, 3rd Law, Gurvich TPIS
0.0016903.6 SiO2 (cr,l) → SiO (g) + 1/2 O2 (g) ΔrG°(1682 K) = 354.7 ± 3.0 (×6.727) kJ/molNesmeyanov 1960, 3rd Law, Gurvich TPIS
0.0006903.2 SiO2 (cr,l) → SiO (g) + 1/2 O2 (g) ΔrG°(1878 K) = 72.5 ± 2.5 (×2.278) kcal/molNagai 1973, 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. 1.122x of the Thermochemical Network, Argonne National Laboratory, Lemont, Illinois 2022; available at ATcT.anl.gov
[DOI: 10.17038/CSE/1885922]
4   D. P. Zaleski, R. Sivaramakrishnan, H. R. Weller, N. A Seifert, D. H. Bross, B. Ruscic, K. B. Moore III, S. N. Elliott, A. V. Copan, L. B. Harding, S. J. Klippenstein, R. W. Field, and K. Prozument,
Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm.
J. Am. Chem. Soc. 143, 3124-3152 (2021) [DOI: 10.1021/jacs.0c11677]
5   Y. Ren, L. Zhou, A. Mellouki, V. Daële, M. Idir, S. S. Brown, B. Ruscic, Robert S. Paton, M. R. McGillen, and A. R. Ravishankara,
Reactions of NO3 with Aromatic Aldehydes: Gas-Phase Kinetics and Insights into the Mechanism of the Reaction.
Atmos. Chem. Phys. 21, 13537-13551 (2021) [DOI: 10.5194/acp2021-228]
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]
7   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 [6,7]).
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.