iPrO anion

Formula: C₃H₇O^-
Molecular weight: 59.0876
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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

C₃H₇O^- + =

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	375.1 ± 1.0	kcal/mol	D-EA	Ramond, Davico, et al., 2000	gas phase
Δ_rH°	375.4 ± 2.1	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale
Δ_rH°	376.7 ± 1.0	kcal/mol	CIDT	DeTuri and Ervin, 1999	gas phase
Δ_rH°	375.7 ± 2.0	kcal/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	368.5 ± 1.1	kcal/mol	H-TS	Ramond, Davico, et al., 2000	gas phase
Δ_rG°	368.8 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale
Δ_rG°	369.1 ± 2.1	kcal/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.

C₃H₇O^- + = C₄H₈F₃O^-

By formula: C₃H₇O^- + CHF₃ = C₄H₈F₃O^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.1 ± 1.0	kcal/mol	IMRE	Chabinyc and Brauman, 1998	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14.2 ± 1.0	kcal/mol	IMRE	Chabinyc and Brauman, 1998	gas phase

References

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Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Chabinyc and Brauman, 1998
Chabinyc, M.L.; Brauman, J.I., Acidity, basicity, and the stability of hydrogen bonds: Complexes of RO-+HCF3, J. Am. Chem. Soc., 1998, 120, 42, 10863-10870, https://doi.org/10.1021/ja9817592 . [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