Iron, (1,3-butadiene)tricarbonyl-


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 by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfgas-85.8 ± 1.7kcal/molReviewMartinho Simões 

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: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfliquid-97.5 ± 1.4kcal/molReviewMartinho Simões 

Phase change 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: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δvap11.7 ± 1.0kcal/molHAL-HFCBrown, Connor, et al., 1976 

Reaction 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: John E. Bartmess

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Individual Reactions

C7H5FeO3- + Hydrogen cation = Iron, (1,3-butadiene)tricarbonyl-

By formula: C7H5FeO3- + H+ = C7H6FeO3

Quantity Value Units Method Reference Comment
Δr340.0 ± 5.0kcal/molIMRBWang and Squires, 1987gas phase; Butadiene-Fe(CO)3 deprotonated by PhO-, not by N3-

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.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Brown, Connor, et al., 1976
Brown, D.L.S.; Connor, J.A.; Leung, M.L.; Paz-Andrade, M.I.; Skinner, H.A., J. Organometal. Chem., 1976, 110, 79. [all data]

Wang and Squires, 1987
Wang, D.N.; Squires, R.R., Gas Phase Ion Chemistry of Two Isomeric (C4H6)Fe(CO)3 Complexes, Organomet., 1987, 6, 5, 905, https://doi.org/10.1021/om00148a001 . [all data]


Notes

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