Anisole

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Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

Bromine anion + Anisole = (Bromine anion • Anisole)

By formula: Br- + C7H8O = (Br- • C7H8O)

Quantity Value Units Method Reference Comment
Δr49.4 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr14. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
14.423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Δr1679. ± 13.kJ/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B
Quantity Value Units Method Reference Comment
Δr1648. ± 13.kJ/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Δr1666. ± 13.kJ/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B
Quantity Value Units Method Reference Comment
Δr1636. ± 13.kJ/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B

C7H7O- + Hydrogen cation = Anisole

By formula: C7H7O- + H+ = C7H8O

Quantity Value Units Method Reference Comment
Δr1681. ± 13.kJ/molG+TSDahlke and Kass, 1992gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B
Quantity Value Units Method Reference Comment
Δr1648. ± 13.kJ/molIMRBDahlke and Kass, 1992gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B

Chlorine anion + Anisole = (Chlorine anion • Anisole)

By formula: Cl- + C7H8O = (Cl- • C7H8O)

Quantity Value Units Method Reference Comment
Δr30.5kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
31.300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

Hydrogen iodide + p-Iodoanisole = Anisole + Iodine

By formula: HI + C7H7IO = C7H8O + I2

Quantity Value Units Method Reference Comment
Δr-29. ± 5.0kJ/molCmBrennan and Ubbelohde, 1956gas phase; ALS

(Lithium ion (1+) • Anisole) + Anisole = (Lithium ion (1+) • 2Anisole)

By formula: (Li+ • C7H8O) + C7H8O = (Li+ • 2C7H8O)

Quantity Value Units Method Reference Comment
Δr121. ± 4.kJ/molCIDTAmunugama and Rodgers, 2003RCD

(Sodium ion (1+) • Anisole) + Anisole = (Sodium ion (1+) • 2Anisole)

By formula: (Na+ • C7H8O) + C7H8O = (Na+ • 2C7H8O)

Quantity Value Units Method Reference Comment
Δr90. ± 3.kJ/molCIDTAmunugama and Rodgers, 2003RCD

(Cesium ion (1+) • Anisole) + Anisole = (Cesium ion (1+) • 2Anisole)

By formula: (Cs+ • C7H8O) + C7H8O = (Cs+ • 2C7H8O)

Quantity Value Units Method Reference Comment
Δr62. ± 4.kJ/molCIDTAmunugama and Rodgers, 2003RCD

(Rubidium ion (1+) • Anisole) + Anisole = (Rubidium ion (1+) • 2Anisole)

By formula: (Rb+ • C7H8O) + C7H8O = (Rb+ • 2C7H8O)

Quantity Value Units Method Reference Comment
Δr64. ± 3.kJ/molCIDTAmunugama and Rodgers, 2003RCD

(Potassium ion (1+) • Anisole) + Anisole = (Potassium ion (1+) • 2Anisole)

By formula: (K+ • C7H8O) + C7H8O = (K+ • 2C7H8O)

Quantity Value Units Method Reference Comment
Δr70. ± 3.kJ/molCIDTAmunugama and Rodgers, 2003RCD

Lithium ion (1+) + Anisole = (Lithium ion (1+) • Anisole)

By formula: Li+ + C7H8O = (Li+ • C7H8O)

Quantity Value Units Method Reference Comment
Δr185. ± 19.kJ/molCIDTAmunugama and Rodgers, 2003RCD

Sodium ion (1+) + Anisole = (Sodium ion (1+) • Anisole)

By formula: Na+ + C7H8O = (Na+ • C7H8O)

Quantity Value Units Method Reference Comment
Δr113. ± 8.4kJ/molCIDTAmunugama and Rodgers, 2003RCD

Cesium ion (1+) + Anisole = (Cesium ion (1+) • Anisole)

By formula: Cs+ + C7H8O = (Cs+ • C7H8O)

Quantity Value Units Method Reference Comment
Δr66.5 ± 5.0kJ/molCIDTAmunugama and Rodgers, 2003RCD

Rubidium ion (1+) + Anisole = (Rubidium ion (1+) • Anisole)

By formula: Rb+ + C7H8O = (Rb+ • C7H8O)

Quantity Value Units Method Reference Comment
Δr72.4 ± 4.2kJ/molCIDTAmunugama and Rodgers, 2003RCD

Potassium ion (1+) + Anisole = (Potassium ion (1+) • Anisole)

By formula: K+ + C7H8O = (K+ • C7H8O)

Quantity Value Units Method Reference Comment
Δr79. ± 3.kJ/molCIDTAmunugama and Rodgers, 2003RCD

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.

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, https://doi.org/10.1021/ja00004a014 . [all data]

Dahlke and Kass, 1992
Dahlke, G.D.; Kass, S.R., The Ortho-dehydrophenoxy Anion, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 633, https://doi.org/10.1016/0168-1176(92)80117-J . [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Brennan and Ubbelohde, 1956
Brennan, D.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. Part IV. Bond-strength differences based on the reaction: RI + HI = RH + I2, where R = p-methoxyphenyl and cyclohexyl, J. Chem. Soc., 1956, 3011-3016. [all data]

Amunugama and Rodgers, 2003
Amunugama, R.; Rodgers, M.T., Influence of substituents on cation-pi interactions - 5. Absolute binding energies of alkali metal cation-anisole complexes determined by threshold collision-induced dissociation and theoretical studies, Int. J. Mass Spectrom., 2003, 222, 1-3, 431, https://doi.org/10.1016/S1387-3806(02)00945-4 . [all data]


Notes

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