C7H6O - The NIST WebBook

C7H6O

• Formula: C7H6O
• Molecular weight: 106.1219
• CAS Registry Number: 135263-20-6
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Options:
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Gas phase ion energetics 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

View reactions leading to C7H6O+ (ion structure unspecified)

De-protonation reactions

C7H5O- + = C7H6O

By formula: C7H5O- + H+ = C7H6O

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	1435. ± 11.	kJ/mol	G+TS	Hu, Hill, et al., 1997	gas phase; Calculations imply singlet carbene in anion, triplet in phenol
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	1406. ± 10.	kJ/mol	CIDC	Hu, Hill, et al., 1997	gas phase; Calculations imply singlet carbene in anion, triplet in phenol

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.

Hu, Hill, et al., 1997 Hu, J.; Hill, B.T.; Squires, R.R., New Approach to Carbene Chemistry, via Distonic Carbene Ions. A Case of Spin-Forbidden Proton Transfer and Carbene-Biradical Tautomerism, J. Am. Chem. Soc., 1997, 119, 48, 11699, https://doi.org/10.1021/ja9727070 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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