6-(tert-butyl)-1,1-dimethylindan

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-24.9kcal/molSemiStewart, 2004 
Δfgas-41.66 ± 0.62kcal/molCcbGood, 1971ALS

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-2120.5 ± 0.58kcal/molCcbGood, 1971Corresponding Δfliquid = -41.7 kcal/mol (simple calculation by NIST; no Washburn corrections)

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Good, 1971
Good, W.D., The enthalpies of combustion and formation of indan and seven alkylindans, J. Chem. Thermodyn., 1971, 3, 711-717. [all data]


Notes

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