Iron, (1,3-butadiene)tricarbonyl-

• Formula: C₇H₆FeO₃
• Molecular weight: 193.966
• IUPAC Standard InChI: InChI=1S/C4H6.3CO.Fe/c1-3-4-2;3*1-2;/h3-4H,1-2H2;;;; Copy

  
• IUPAC Standard InChIKey: NBFCJULAAWWTBL-UHFFFAOYSA-N Copy
• CAS Registry Number: 12078-32-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Iron, (η4-1,3-butadiene)tricarbonyl-; (1,3-Butadiene)tricarbonyl iron; Butadiene iron tricarbonyl; Butadiene tricarbonyl iron; Tricarbonyl(1,3-butadiene)iron; Tricarbonylbutadiene iron; (CH2=CHCH=CH2)(CO)3Fe; 1,3-Butadiene iron tricarbonyl; (η4-1,3-Butadiene)tricarbonyliron; NSC 58462; (η-1,3-butadiene)tricarbonyliron
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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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 by: José A. Martinho 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

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₇H₅FeO₃^- +  =

By formula: C₇H₅FeO₃^- + H⁺ = C₇H₆FeO₃

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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]

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References

• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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