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

Benzonitrile

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Ion clustering 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 as indicated in comments:
B - J.E. Bartmess
M - M. M. Meot-Ner (Mautner) and S. 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

Bromine anion + Benzonitrile = (Bromine anion bullet Benzonitrile)

By formula: Br- + C7H5N = (Br- bullet C7H5N)

QuantityValueUnitsMethodReferenceComment
Deltar61.5 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
QuantityValueUnitsMethodReferenceComment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar26. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

DeltarG° (kJ/mol)T (K)MethodReferenceComment
26.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

CH6N+ + Benzonitrile = (CH6N+ bullet Benzonitrile)

By formula: CH6N+ + C7H5N = (CH6N+ bullet C7H5N)

QuantityValueUnitsMethodReferenceComment
Deltar123.kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
QuantityValueUnitsMethodReferenceComment
Deltar131.J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C6H7N+ + Benzonitrile = (C6H7N+ bullet Benzonitrile)

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

QuantityValueUnitsMethodReferenceComment
Deltar81.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar88.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol)T (K)MethodReferenceComment
51.5338.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C11H10+ + Benzonitrile = (C11H10+ bullet Benzonitrile)

By formula: C11H10+ + C7H5N = (C11H10+ bullet C7H5N)

QuantityValueUnitsMethodReferenceComment
Deltar61.5kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar110.J/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol)T (K)MethodReferenceComment
29.301.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Chlorine anion + Benzonitrile = (Chlorine anion bullet Benzonitrile)

By formula: Cl- + C7H5N = (Cl- bullet C7H5N)

QuantityValueUnitsMethodReferenceComment
Deltar66.9kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
QuantityValueUnitsMethodReferenceComment
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kJ/mol)T (K)MethodReferenceComment
41.8300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M

Nitric oxide anion + Benzonitrile = (Nitric oxide anion bullet Benzonitrile)

By formula: NO- + C7H5N = (NO- bullet C7H5N)

QuantityValueUnitsMethodReferenceComment
Deltar172.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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.

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148. [doi:10.1021/ja00004a014] [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. [doi:10.1021/j100270a020] [all data]

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. [doi: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. [doi:10.1021/j100289a017] [all data]

Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S., Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes, J. Am. Chem. Soc., 1981, 103, 2791. [all data]

Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163. [doi:10.1016/0020-7381(78)80037-0] [all data]


Notes

Go To: Top, Ion clustering data, References