Isopropyl, positive ion

• Formula: C₃H₇⁺
• Molecular weight: 43.0871
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
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Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Clustering reactions

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + CHN = (C₃H₇⁺  CHN)

Quantity	Value	Units	Method	Reference	Comment
rH°	39.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation
rH°	30.8	kcal/mol	PHPMS	Meot-Ner (Mautner), 1978	gas phase; forms i-C3H7NCH+
Quantity	Value	Units	Method	Reference	Comment
rS°	45.2	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation
rS°	32.	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1978	gas phase; forms i-C3H7NCH+

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + CH₂Cl₂ = (C₃H₇⁺  CH₂Cl₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	15.6	kcal/mol	PHPMS	Sharma, Meza de Hojer, et al., 1985	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	31.0	cal/mol*K	PHPMS	Sharma, Meza de Hojer, et al., 1985	gas phase

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + CH₃Cl = (C₃H₇⁺  CH₃Cl)

Quantity	Value	Units	Method	Reference	Comment
rH°	22.9	kcal/mol	PHPMS	Sen Sharma and Kebarle, 1978	gas phase; Entropy change is questionable
Quantity	Value	Units	Method	Reference	Comment
rS°	44.5	cal/mol*K	PHPMS	Sen Sharma and Kebarle, 1978	gas phase; Entropy change is questionable

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + CH₄ = (C₃H₇⁺  CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.59	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
rH°	3.4	kcal/mol	PHPMS	Hiraoka and Kebarle, 1976	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	17.4	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
rS°	20.	cal/mol*K	PHPMS	Hiraoka and Kebarle, 1976	gas phase

(C₃H₇⁺  ) +  = (C₃H₇⁺  2)

By formula: (C₃H₇⁺  CH₄) + CH₄ = (C₃H₇⁺  2CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.45	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	19.0	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase

(C₃H₇⁺  2) +  = (C₃H₇⁺  3)

By formula: (C₃H₇⁺  2CH₄) + CH₄ = (C₃H₇⁺  3CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.26	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	18.4	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase

(C₃H₇⁺  3) +  = (C₃H₇⁺  4)

By formula: (C₃H₇⁺  3CH₄) + CH₄ = (C₃H₇⁺  4CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.20	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	19.0	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase

(C₃H₇⁺  4) +  = (C₃H₇⁺  5)

By formula: (C₃H₇⁺  4CH₄) + CH₄ = (C₃H₇⁺  5CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.20	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	20.9	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase

(C₃H₇⁺  5) +  = (C₃H₇⁺  6)

By formula: (C₃H₇⁺  5CH₄) + CH₄ = (C₃H₇⁺  6CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.19	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	21.0	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase

(C₃H₇⁺  6) +  = (C₃H₇⁺  7)

By formula: (C₃H₇⁺  6CH₄) + CH₄ = (C₃H₇⁺  7CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.16	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	21.8	cal/mol*K	PHPMS	Hiraoka, Mori, et al., 1993	gas phase

(C₃H₇⁺  7) +  = (C₃H₇⁺  8)

By formula: (C₃H₇⁺  7CH₄) + CH₄ = (C₃H₇⁺  8CH₄)

Quantity	Value	Units	Method	Reference	Comment
rH°	1.98	kcal/mol	PHPMS	Hiraoka, Mori, et al., 1993	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
rS°	22.	cal/mol*K	N/A	Hiraoka, Mori, et al., 1993	gas phase; Entropy change calculated or estimated

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + C₃H₈ = (C₃H₇⁺  C₃H₈)

Quantity	Value	Units	Method	Reference	Comment
rH°	13.6	kcal/mol	PHPMS	Sunner, Hirao, et al., 1989	gas phase
Quantity	Value	Units	Method	Reference	Comment
rS°	29.4	cal/mol*K	PHPMS	Sunner, Hirao, et al., 1989	gas phase

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + H₂O = (C₃H₇⁺  H₂O)

Quantity	Value	Units	Method	Reference	Comment
rH°	17.6	kcal/mol	HPMS	Beggs and Field, 1971	gas phase; «DELTA»rH inconsistent with (CH3)2CHOH2+ product
Quantity	Value	Units	Method	Reference	Comment
rS°	27.7	cal/mol*K	HPMS	Beggs and Field, 1971	gas phase; «DELTA»rH inconsistent with (CH3)2CHOH2+ product

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + H₂S = (C₃H₇⁺  H₂S)

Quantity	Value	Units	Method	Reference	Comment
rH°	32.0	kcal/mol	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation
Quantity	Value	Units	Method	Reference	Comment
rS°	34.8	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Sieck, 1991	gas phase; condensation

C₃H₇⁺ +  = (C₃H₇⁺  )

By formula: C₃H₇⁺ + H₂ = (C₃H₇⁺  H₂)

Quantity	Value	Units	Method	Reference	Comment
rH°	2.5	kcal/mol	PHPMS	Hiraoka and Kebarle, 1976	gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<
Quantity	Value	Units	Method	Reference	Comment
rS°	20.	cal/mol*K	N/A	Hiraoka and Kebarle, 1976	gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.9	170.	PHPMS	Hiraoka and Kebarle, 1976	gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M., Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase., J. Am. Chem. Soc., 1978, 100, 15, 4694, https://doi.org/10.1021/ja00483a012 . [all data]

Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P., Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+, J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002 . [all data]

Sen Sharma and Kebarle, 1978
Sen Sharma, D.K.; Kebarle, P., Binding Energies and Stabilities of Chloronium Ions from Study of the Gas - Phase Equilibria: R1+ + ClR2 = R1ClR2+, J. Am. Chem. Soc., 1978, 100, 18, 5826, https://doi.org/10.1021/ja00486a039 . [all data]

Hiraoka, Mori, et al., 1993
Hiraoka, K.; Mori, T.; Yamabe, S., The Gas-Phase Solvation of C2H5+, s-C3H7+ and s-C4H9+ with CH4. The Isomeric Structures of C2H5+ and C2H5+.CH4, Chem. Phys. Lett., 1993, 207, 2-3, 178, https://doi.org/10.1016/0009-2614(93)87011-Q . [all data]

Hiraoka and Kebarle, 1976
Hiraoka, K.; Kebarle, P., Stabilities and Energetics of Pentacoordinated Carbonium Ions. The Isomeric C2H7+ Ions and Some Higher Analogues: C3H9+ and C4H11+, J. Am. Chem. Soc., 1976, 98, 20, 6119, https://doi.org/10.1021/ja00436a009 . [all data]

Sunner, Hirao, et al., 1989
Sunner, J.A.; Hirao, K.; Kebarle, P., Hydride - Transfer Reactions. Temperature Dependence of Rate Constants for i-C3H7+ + HC(CH3)3 = C3H8 + C(CH3)3+. Clusters of i-C3H7+ and t-C4H9+ with Propane and Isobutane, J. Phys. Chem., 1989, 93, 10, 4010, https://doi.org/10.1021/j100347a030 . [all data]

Beggs and Field, 1971
Beggs, D.P.; Field, F.H., Reversible Reactions of Gas Phase Ions. II. Propane-Water System, J. Am. Chem. Soc., 1971, 93, 7, 1576, https://doi.org/10.1021/ja00736a002 . [all data]

Notes

Go To: Top, Ion clustering data, References

• Symbols used in this document:
  

  T	Temperature
  rG°	Free energy of reaction at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  rS°	Entropy of reaction at standard conditions

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