Acetone, protonated
- Formula: C3H7O+
- Molecular weight: 59.0865
- Information on this page:
- Options:
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
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + C3H6O = (C3H7O+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 128. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase |
| ΔrH° | 126. | kJ/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase |
| ΔrH° | 124. | kJ/mol | PHPMS | Hiraoka and Takimoto, 1986 | gas phase |
| ΔrH° | 132. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| ΔrH° | 126. | kJ/mol | PHPMS | Lau, Saluja, et al., 1980 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 118. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase |
| ΔrS° | 128. | J/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase |
| ΔrS° | 123. | J/mol*K | PHPMS | Hiraoka and Takimoto, 1986 | gas phase |
| ΔrS° | 129. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| ΔrS° | 127. | J/mol*K | PHPMS | Lau, Saluja, et al., 1980 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 93.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + C4H8O2 = (C3H7O+ • C4H8O2)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 126. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 126. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 87.9 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
(C3H7O+ • 2) +
= (C3H7O+ • 3
)
By formula: (C3H7O+ • 2C3H6O) + C3H6O = (C3H7O+ • 3C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 71.1 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
(C3H7O+ • ) +
= (C3H7O+ • 2
)
By formula: (C3H7O+ • C3H6O) + C3H6O = (C3H7O+ • 2C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 51.0 | kJ/mol | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 96.2 | J/mol*K | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase |
(C3H7O+ • 2) +
= (C3H7O+ • 3
)
By formula: (C3H7O+ • 2H2O) + H2O = (C3H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 53.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 91.6 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • 3) +
= (C3H7O+ • 4
)
By formula: (C3H7O+ • 3H2O) + H2O = (C3H7O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 84.5 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • 4) +
= (C3H7O+ • 5
)
By formula: (C3H7O+ • 4H2O) + H2O = (C3H7O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 98.3 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • ) +
= (C3H7O+ • 2
)
By formula: (C3H7O+ • H2O) + H2O = (C3H7O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 56.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 97.1 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + H2O = (C3H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 85.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 109. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + CHN = (C3H7O+ • CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 85.4 | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 98.7 | J/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + C2H3N = (C3H7O+ • C2H3N)
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 87.0 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973 |
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
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + CHN = (C3H7O+ • CHN)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 85.4 | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 98.7 | J/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + C2H3N = (C3H7O+ • C2H3N)
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 87.0 | 320. | ICR | Bromilow, Abboud, et al., 1980 | gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973 |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + C3H6O = (C3H7O+ • C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 128. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase |
| ΔrH° | 126. | kJ/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase |
| ΔrH° | 124. | kJ/mol | PHPMS | Hiraoka and Takimoto, 1986 | gas phase |
| ΔrH° | 132. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| ΔrH° | 126. | kJ/mol | PHPMS | Lau, Saluja, et al., 1980 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 118. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase |
| ΔrS° | 128. | J/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase |
| ΔrS° | 123. | J/mol*K | PHPMS | Hiraoka and Takimoto, 1986 | gas phase |
| ΔrS° | 129. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| ΔrS° | 127. | J/mol*K | PHPMS | Lau, Saluja, et al., 1980 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 93.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
(C3H7O+ • ) +
= (C3H7O+ • 2
)
By formula: (C3H7O+ • C3H6O) + C3H6O = (C3H7O+ • 2C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 51.0 | kJ/mol | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 96.2 | J/mol*K | PHPMS | Hiraoka, Morise, et al., 1986 | gas phase |
(C3H7O+ • 2) +
= (C3H7O+ • 3
)
By formula: (C3H7O+ • 2C3H6O) + C3H6O = (C3H7O+ • 3C3H6O)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36. | kJ/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 71.1 | J/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + C4H8O2 = (C3H7O+ • C4H8O2)
Bond type: Hydrogen bonds of the type OH-O between organics
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 126. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 126. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 87.9 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986 |
C3H7O+ + = (C3H7O+ •
)
By formula: C3H7O+ + H2O = (C3H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 85.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 109. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • ) +
= (C3H7O+ • 2
)
By formula: (C3H7O+ • H2O) + H2O = (C3H7O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 56.9 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 97.1 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • 2) +
= (C3H7O+ • 3
)
By formula: (C3H7O+ • 2H2O) + H2O = (C3H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 53.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 91.6 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • 3) +
= (C3H7O+ • 4
)
By formula: (C3H7O+ • 3H2O) + H2O = (C3H7O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 84.5 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
(C3H7O+ • 4) +
= (C3H7O+ • 5
)
By formula: (C3H7O+ • 4H2O) + H2O = (C3H7O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 98.3 | J/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
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.
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]
Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B.,
A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia,
Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y
. [all data]
Hiraoka and Takimoto, 1986
Hiraoka, K.; Takimoto, H.,
Gas-Phase Stabilities of Symmetric Proton-Held Dimer Cations,
J. Phys. Chem., 1986, 90, 22, 5910, https://doi.org/10.1021/j100280a090
. [all data]
Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B.,
Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements,
J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016
. [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]
Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr.,
Thermochemical data on Ggs-phase ion-molecule association and clustering reactions,
J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]
Lau, Saluja, et al., 1980
Lau, Y.K.; Saluja, P.P.S.; Kebarle, P.,
The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+,
J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004
. [all data]
Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K.; Shoda, T.; Nakamura, S.,
Ion-Molecule Reactions in Gaseous Acetone,
Bull. Chem. Soc. Japan, 1986, 59, 7, 2247, https://doi.org/10.1246/bcsj.59.2247
. [all data]
Hiraoka, Morise, et al., 1986
Hiraoka, K.; Morise, K.; Nishijima, T.; Nakamura, S.; Nakazato, M.; Ohkuma, K.,
Gas Phase Ion Equilibria Studies of Protons and Chloride Ions in Propanol and Acetone,
Int. J. Mass Spectrom. Ion Proc., 1986, 68, 1-2, 99, https://doi.org/10.1016/0168-1176(86)87071-9
. [all data]
Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration,
J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016
. [all data]
Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites,
J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020
. [all data]
Bromilow, Abboud, et al., 1980
Bromilow, J.; Abboud, J.L.M.; Lebrilla, C.B.; Taft, R.W.; Scorrano, G.; Lucchini, V.,
Oxonium Ions. Solvation by Single Acetonitrile Molecules in the Gas Phase and by Bulk Solvents,
J. Am. Chem. Soc., 1980, 103, 18, 5448, https://doi.org/10.1021/ja00408a028
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Ion clustering data, References
- Symbols used in this document:
T Temperature 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.