pMe-C6H4CðC anion

Formula: C₉H₇^-
Molecular weight: 115.1524
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Other data available:
- Gas phase ion energetics data
- Ion clustering data
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Reaction thermochemistry data

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Individual Reactions

C₉H₇^- + =

By formula: C₉H₇^- + H⁺ = C₉H₈

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	371.7 ± 2.3	kcal/mol	G+TS	Chabinyc and Brauman, 1999	gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	364.0 ± 2.0	kcal/mol	IMRE	Chabinyc and Brauman, 1999	gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale

C₉H₇^- + = C₁₀H₁₁O^-

By formula: C₉H₇^- + CH₄O = C₁₀H₁₁O^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.6 ± 2.0	kcal/mol	IMRE	Chabinyc and Brauman, 1999	gas phase; Anchored to MeOH ΔGacid=375.2
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.20	kcal/mol	IMRE	Mustanir, Matsuoka, et al., 2006	gas phase
Δ_rG°	11.1 ± 2.0	kcal/mol	IMRE	Chabinyc and Brauman, 1999	gas phase; Anchored to MeOH ΔGacid=375.2

C₉H₇^- + = C₁₀H₈F₃^-

By formula: C₉H₇^- + CHF₃ = C₁₀H₈F₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.8 ± 1.0	kcal/mol	IMRE	Chabinyc and Brauman, 2000	gas phase; Original dG=8.3 at 350K; dS based on symmetry alone
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.9 ± 1.0	kcal/mol	IMRE	Chabinyc and Brauman, 2000	gas phase; Original dG=8.3 at 350K; dS based on symmetry alone

References

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Chabinyc and Brauman, 1999
Chabinyc, M.L.; Brauman, J.I., Hydrogen bond strength and acidity. Structural and energetic correlations for acetylides and alcohols, J. Phys. Chem. A, 1999, 103, 46, 9163-9166, https://doi.org/10.1021/jp992852v . [all data]

Mustanir, Matsuoka, et al., 2006
Mustanir; Matsuoka, M.; Mishima, M.; Koch, H., Stability of complexes of phenylacetylides and benzyl alkoxides with methanol in the gas phase. Acid-base correlation in the ionic hydrogen-bond strength, Bull. Chem. Soc. Japan, 2006, 79, 7, 1118-1125, https://doi.org/10.1246/bcsj.79.1118 . [all data]

Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [all data]

Notes

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Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions