Isopropyl alcohol, protonated
- Formula: C3H9O+
- Molecular weight: 61.1024
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Reaction thermochemistry data
Go To: Top, Ion clustering data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H9O+ + = (C3H9O+ •
)
By formula: C3H9O+ + C2H6O = (C3H9O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 31.9 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28.2 | cal/mol*K | N/A | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 23.5 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
C3H9O+ + = (C3H9O+ •
)
By formula: C3H9O+ + C3H8O = (C3H9O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 31.9 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.6 | cal/mol*K | N/A | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 23.1 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
C3H9O+ + = (C3H9O+ •
)
By formula: C3H9O+ + H2O = (C3H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.3 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS |
| ΔrH° | 13.5 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS |
| ΔrS° | 12.7 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase |
(C3H9O+ • ) +
= (C3H9O+ • 2
)
By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.4 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| ΔrH° | 14.9 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| ΔrS° | 21.5 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase |
(C3H9O+ • 6) +
= (C3H9O+ • 7
)
By formula: (C3H9O+ • 6H2O) + H2O = (C3H9O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated |
(C3H9O+ • 2) +
= (C3H9O+ • 3
)
By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.6 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 3) +
= (C3H9O+ • 4
)
By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 4) +
= (C3H9O+ • 5
)
By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 5) +
= (C3H9O+ • 6
)
By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
Ion clustering data
Go To: Top, Reaction thermochemistry data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
C3H9O+ + = (C3H9O+ •
)
By formula: C3H9O+ + C2H6O = (C3H9O+ • C2H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 31.9 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28.2 | cal/mol*K | N/A | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 23.5 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
C3H9O+ + = (C3H9O+ •
)
By formula: C3H9O+ + C3H8O = (C3H9O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 31.9 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 29.6 | cal/mol*K | N/A | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 23.1 | kcal/mol | ICR | Bomse and Beauchamp, 1981 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984 |
C3H9O+ + = (C3H9O+ •
)
By formula: C3H9O+ + H2O = (C3H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.3 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS |
| ΔrH° | 13.5 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS |
| ΔrS° | 12.7 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase |
(C3H9O+ • ) +
= (C3H9O+ • 2
)
By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.4 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| ΔrH° | 14.9 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| ΔrS° | 21.5 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase |
(C3H9O+ • 2) +
= (C3H9O+ • 3
)
By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.6 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 3) +
= (C3H9O+ • 4
)
By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 4) +
= (C3H9O+ • 5
)
By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 5) +
= (C3H9O+ • 6
)
By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H9O+ • 6) +
= (C3H9O+ • 7
)
By formula: (C3H9O+ • 6H2O) + H2O = (C3H9O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated |
References
Go To: Top, Reaction thermochemistry data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bomse and Beauchamp, 1981
Bomse, D.S.; Beauchamp, J.L.,
Slow Multiphoton Excitation as a Probe of Bimolecular and Unimolecular Reaction Energetics. Multiphoton Dissociation of Proton-Bound Alcohol Dimers,
J. Am. Chem. Soc., 1981, 103, 12, 3292, https://doi.org/10.1021/ja00402a011
. [all data]
Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding,
J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002
. [all data]
Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D.,
Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules,
J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]
Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K.,
Gas-Phase Hydration Reactions of Protonated Alcohols. Energetics and Bulk Hydration of Cluster Ions,
J. Am. Chem. Soc., 1986, 108, 19, 5683, https://doi.org/10.1021/ja00279a004
. [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, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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