Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Aniline, positive ion


Reaction thermochemistry data

Go To: Top, 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

C6H7N+ + Benzene, n-butyl- = (C6H7N+ bullet Benzene, n-butyl-)

By formula: C6H7N+ + C10H14 = (C6H7N+ bullet C10H14)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.3330.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, bromo- = (C6H7N+ bullet Benzene, bromo-)

By formula: C6H7N+ + C6H5Br = (C6H7N+ bullet C6H5Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.6kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.1325.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, chloro- = (C6H7N+ bullet Benzene, chloro-)

By formula: C6H7N+ + C6H5Cl = (C6H7N+ bullet C6H5Cl)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.0297.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Acenaphthylene = (C6H7N+ bullet Acenaphthylene)

By formula: C6H7N+ + C12H8 = (C6H7N+ bullet C12H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.7325.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Azulene = (C6H7N+ bullet Azulene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.8315.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, iodo- = (C6H7N+ bullet Benzene, iodo-)

By formula: C6H7N+ + C6H5I = (C6H7N+ bullet C6H5I)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.8324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Naphthalene = (C6H7N+ bullet Naphthalene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.4kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.3324.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, (trifluoromethyl)- = (C6H7N+ bullet Benzene, (trifluoromethyl)-)

By formula: C6H7N+ + C7H5F3 = (C6H7N+ bullet C7H5F3)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.8kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.0300.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, hexafluoro- = (C6H7N+ bullet Benzene, hexafluoro-)

By formula: C6H7N+ + C6F6 = (C6H7N+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar3.5kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzonitrile = (C6H7N+ bullet Benzonitrile)

By formula: C6H7N+ + C7H5N = (C6H7N+ bullet C7H5N)

Quantity Value Units Method Reference Comment
Deltar19.4kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar21.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
12.3338.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Methane, nitro- = (C6H7N+ bullet Methane, nitro-)

By formula: C6H7N+ + CH3NO2 = (C6H7N+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar18.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.2343.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Methane, iodo- = (C6H7N+ bullet Methane, iodo-)

By formula: C6H7N+ + CH3I = (C6H7N+ bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar9.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar18.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.3299.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, nitro- = (C6H7N+ bullet Benzene, nitro-)

By formula: C6H7N+ + C6H5NO2 = (C6H7N+ bullet C6H5NO2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar21.2cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.7324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + p-Xylene = (C6H7N+ bullet p-Xylene)

By formula: C6H7N+ + C8H10 = (C6H7N+ bullet C8H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.8322.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Mesitylene = (C6H7N+ bullet Mesitylene)

By formula: C6H7N+ + C9H12 = (C6H7N+ bullet C9H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar25.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Toluene = (C6H7N+ bullet Toluene)

By formula: C6H7N+ + C7H8 = (C6H7N+ bullet C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, fluoro- = (C6H7N+ bullet Benzene, fluoro-)

By formula: C6H7N+ + C6H5F = (C6H7N+ bullet C6H5F)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar26.5cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Aniline = (C6H7N+ bullet Aniline)

By formula: C6H7N+ + C6H7N = (C6H7N+ bullet C6H7N)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.5kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar24.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene = (C6H7N+ bullet Benzene)

By formula: C6H7N+ + C6H6 = (C6H7N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar22.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Acenaphthene = (C6H7N+ bullet Acenaphthene)

By formula: C6H7N+ + C12H10 = (C6H7N+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.5kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar27.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, hexamethyl- = (C6H7N+ bullet Benzene, hexamethyl-)

By formula: C6H7N+ + C12H18 = (C6H7N+ bullet C12H18)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar17.1kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar24.3cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Naphthalene, 1-bromo- = (C6H7N+ bullet Naphthalene, 1-bromo-)

By formula: C6H7N+ + C10H7Br = (C6H7N+ bullet C10H7Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.8kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase

C6H7N+ + Naphthalene, 1-methyl- = (C6H7N+ bullet Naphthalene, 1-methyl-)

By formula: C6H7N+ + C11H10 = (C6H7N+ bullet C11H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar15.8kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase
Quantity Value Units Method Reference Comment
Deltar25.1cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase

C6H7N+ + Acetonitrile = (C6H7N+ bullet Acetonitrile)

By formula: C6H7N+ + C2H3N = (C6H7N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar17.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar17.8cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

References

Go To: Top, Reaction thermochemistry 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 El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References