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:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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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^- +  =

By formula: C₇H₅FeO₃^- + H⁺ = C₇H₆FeO₃

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.

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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• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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