Benzene

Formula: C₆H₆
Molecular weight: 78.1118
IUPAC Standard InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
CAS Registry Number: 71-43-2
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
- Benzene-D6
Other names: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
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Information on this page:
Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 99
- Henry's Law data
- IR Spectrum
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
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Gas phase ion energetics data

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₆H₆⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.24378 ± 0.00007	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	750.4	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	725.4	kJ/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kJ/mol)	Reference	Comment
746.4	Aue, Guidoni, et al., 2000	Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol)	Reference	Comment
721.7	Aue, Guidoni, et al., 2000	Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.24384 ± 0.00006	TE	Nemeth, Selzle, et al., 1993	LL
9.24372 ± 0.00005	TE	Chewter, Sander, et al., 1987	LBLHLM
9.20	EI	Stahl and Maquin, 1984	LBLHLM
9.2459 ± 0.0002	S	Grubb, Whetten, et al., 1984	LBLHLM
9.23 ± 0.03	EI	Arimura and Yoshikawa, 1984	LBLHLM
9.25	PE	Klasinc, Kovac, et al., 1983	LBLHLM
9.23	PE	Cetinkaya, Lappert, et al., 1983	LBLHLM
9.25	PE	Kimura, Katsumata, et al., 1981	LLK
9.240 ± 0.002	LS	Duncan, Dietz, et al., 1981	LLK
9.44	EI	Clare and Sowerby, 1981	LLK
9.25	PE	Bieri and Asbrink, 1980	LLK
9.22	PE	Sell, Mintz, et al., 1978	LLK
9.24	PE	Mattsson, Karlsson, et al., 1977	LLK
9.25 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
9.25 ± 0.07	EI	Selim, 1976	LLK
9.24	PE	Behan, Johnstone, et al., 1976	LLK
9.70	EI	Baldwin, Loudon, et al., 1976	LLK
9.25	CTS	Pitt, 1973	LLK
9.2 ± 0.1	EI	Tajima, Shimizu, et al., 1972	LLK
9.26 ± 0.06	EI	Finney and Harrison, 1972	LLK
9.27	PE	Chizhov, Kleimenov, et al., 1972	LLK
9.24 ± 0.01	PI	Sergeev, Akopyan, et al., 1970	RDSH
9.25 ± 0.01	PI	Demeo and El-Sayed, 1970	RDSH
9.36 ± 0.05	EI	Buchs, 1970	RDSH
9.241 ± 0.001	PE	Asbrink, Lindholm, et al., 1970	RDSH
9.241	TE	Peatman, Borne, et al., 1969	RDSH
9.24 ± 0.01	PE	Dewar and Worley, 1969	RDSH
9.25 ± 0.01	PI	Momigny, Goffart, et al., 1968	RDSH
9.20 ± 0.04	EI	Bock, Seidl, et al., 1968	RDSH
9.24	PE	Baker, May, et al., 1968	RDSH
9.25	PE	Baker, Brundle, et al., 1968	RDSH
9.25 ± 0.02	PE	Clark and Frost, 1967	RDSH
9.26 ± 0.02	EI	Nounou, 1966	RDSH
9.246 ± 0.005	PI	Brehm, 1966	RDSH
9.241 ± 0.006	PI	Nicholson, 1965	RDSH
9.24 ± 0.01	PI	Dibeler and Reese, 1964	RDSH
9.25	PE	Al-Joboury and Turner, 1964	RDSH
9.2	PI	Terenin, 1961	RDSH
9.248	S	El-Sayed, Kaaba, et al., 1961	RDSH
9.247 ± 0.002	S	Wilkinson, 1956	RDSH
9.25 ± 0.01	PI	Watanabe, 1954	RDSH
9.8 ± 0.1	EI	Hustrulid, Kusch, et al., 1938	RDSH
9.242 ± 0.005	S	Price and Wood, 1935	RDSH
9.23	PE	Howell, Goncalves, et al., 1984	Vertical value; LBLHLM
9.25	PE	Kovac, Mohraz, et al., 1980	Vertical value; LLK
9.25	PE	Kaim, Tesmann, et al., 1980	Vertical value; LLK
9.22	PE	Sell and Kupperman, 1978	Vertical value; LLK
9.23	PE	Kobayashi, 1978	Vertical value; LLK
9.3	PE	Klasinc, Novak, et al., 1978	Vertical value; LLK
9.24 ± 0.02	PE	Schmidt, 1977	Vertical value; LLK
9.25 ± 0.05	PE	Gower, Kane-Maguire, et al., 1977	Vertical value; LLK
9.24	PE	Bock, Kaim, et al., 1977	Vertical value; LLK
9.24	PE	Clar and Schmidt, 1976	Vertical value; LLK
9.23	PE	Kobayashi and Nagakura, 1975	Vertical value; LLK
9.24	PE	Bischof, Dewar, et al., 1974	Vertical value; LLK
9.24	PE	Schafer and Schweig, 1972	Vertical value; LLK
9.25 ± 0.03	PE	Klessinger, 1972	Vertical value; LLK
9.24	PE	Bock, Wagner, et al., 1972	Vertical value; LLK
9.2	PE	Carlson and Anderson, 1971	Vertical value; LLK
9.24	PE	Bock and Fuss, 1971	Vertical value; LLK
9.24	PE	Gleiter, Heilbronner, et al., 1970	Vertical value; RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	28.2 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C₂H₂⁺	19. ± 0.4	?	EI	Lifshitz and Reuben, 1969	RDSH
C₂H₂⁺	18.6	?	EI	Natalis and Franklin, 1965	RDSH
C₂H₂⁺	32.6 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C₂H₃⁺	19. ± 0.4	?	EI	Lifshitz and Reuben, 1969	RDSH
C₃H₃⁺	13.43	?	LS	Kuhlewind, Kiermeier, et al., 1986	LBLHLM
C₃H₃⁺	15.34 ± 0.06	C₃H₃	EI	Selim, 1976	LLK
C₃H₃⁺	16.90	C₃H₃	PE	Eland, Frey, et al., 1976	LLK
C₃H₃⁺	13.79	C₃H₃	PI	Rosenstock, Larkins, et al., 1973	LLK
C₃H₃⁺	14.7 ± 0.1	?	EI	Lifshitz and Reuben, 1969	RDSH
C₄H₂⁺	17.5 ± 0.3	?	EI	Lifshitz and Reuben, 1969	RDSH
C₄H₃⁺	18.48 ± 0.07	H+C₂H₂	EI	Selim, 1976	LLK
C₄H₃⁺	17.6 ± 0.1	?	EI	Lifshitz and Reuben, 1969	RDSH
C₄H₄⁺	13.40	C₂H₂	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C₄H₄⁺	13.9 ± 0.1	C₂H₂	EI	Rosenstock, McCulloh, et al., 1977	LLK
C₄H₄⁺	14.17 ± 0.08	C₂H₂	PI	Rosenstock, McCulloh, et al., 1977	LLK
C₄H₄⁺	14.85	C₂H₂	PE	Eland, Frey, et al., 1976	LLK
C₄H₄⁺	13.85	C₂H₂	PI	Rosenstock, Larkins, et al., 1973	LLK
C₄H₄⁺	14.1	C₂H₂	EI	Hickling and Jennings, 1970	RDSH
C₄H₄⁺	14.5 ± 0.2	C₂H₂	EI	Lifshitz and Reuben, 1969	RDSH
C₅H₃⁺	15.7 ± 0.1	CH₃	EI	Lifshitz and Reuben, 1969	RDSH
C₆H⁺	29. ± 2.	?	EI	Lifshitz and Reuben, 1969	RDSH
C₆H₄⁺	12.93	H₂	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C₆H₄⁺	14.14 ± 0.08	H₂	EI	Selim, 1976	LLK
C₆H₄⁺	12.94	H₂	PI	Rosenstock, Larkins, et al., 1973	LLK
C₆H₄⁺	14.04 ± 0.06	H₂	EI	Bentley, Johnstone, et al., 1973	LLK
C₆H₄⁺	14.09 ± 0.07	H₂	EI	Natalis and Franklin, 1965	RDSH
C₆H₅⁺	13.12 ± 0.05	H	EVAL	Klippenstein, Faulk, et al., 1993	T = 0K; LL
C₆H₅⁺	12.90	H	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C₆H₅⁺	13.7 ± 0.1	H	EI	Rosenstock, McCulloh, et al., 1977	LLK
C₆H₅⁺	13.78 ± 0.08	H	PI	Rosenstock, McCulloh, et al., 1977	LLK
C₆H₅⁺	14.56 ± 0.07	H	EI	Selim, 1976	LLK
C₆H₅⁺	12.94	H	PI	Rosenstock, Larkins, et al., 1973	LLK
C₆H₅⁺	13.97 ± 0.06	H	EI	Bentley, Johnstone, et al., 1973	LLK
C₆H₅⁺	14.1 ± 0.1	H	EI	Gross, 1972	LLK
C₆H₅⁺	13.80 ± 0.03	H	PI	Sergeev, Akopyan, et al., 1970	RDSH
C₆H₅⁺	14.1 ± 0.1	H	EI	Lifshitz and Reuben, 1969	RDSH
C₆H₅⁺	13.8 ± 0.1	H	PI	Brehm, 1966	RDSH
C₆H₇₁^-43^-24⁺	14.2 ± 0.2	H₂	EI	Lifshitz and Reuben, 1969	RDSH

De-protonation reactions

C₆H₅^- + = Benzene

By formula: C₆H₅^- + H⁺ = C₆H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1678.7 ± 2.1	kJ/mol	G+TS	Davico, Bierbaum, et al., 1995	gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δ_rH°	1678.5 ± 0.88	kJ/mol	D-EA	Gunion, Gilles, et al., 1992	gas phase; B
Δ_rH°	1677. ± 10.	kJ/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rH°	1680. ± 42.	kJ/mol	CIDT	Graul and Squires, 1990	gas phase; B
Δ_rH°	1665. ± 23.	kJ/mol	G+TS	Bohme and Young, 1971	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1641.8 ± 1.7	kJ/mol	IMRE	Davico, Bierbaum, et al., 1995	gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δ_rG°	1636. ± 8.4	kJ/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rG°	1632. ± 27.	kJ/mol	IMRB	Bartmess and McIver Jr., 1979	gas phase; B
Δ_rG°	1628. ± 23.	kJ/mol	IMRB	Bohme and Young, 1971	gas phase; B

Ion clustering data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - 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

+ Benzene = ( • Benzene )

By formula: Ag⁺ + C₆H₆ = (Ag⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	156. ± 7.1	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	167. ± 19.	kJ/mol	RAK	Ho, Yang, et al., 1997	RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ag⁺ • C₆H₆) + C₆H₆ = (Ag⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	167. ± 19.	kJ/mol	RAK	Ho, Yang, et al., 1997	RCD

+ Benzene = ( • Benzene )

By formula: Al⁺ + C₆H₆ = (Al⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	147. ± 7.9	kJ/mol	RAK	Dunbar, Klippenstein, et al., 1996	RCD

+ Benzene = ( • Benzene )

By formula: Au⁺ + C₆H₆ = (Au⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	293.	kJ/mol	IMRB	Schroeder, Hrusak, et al., 1995	RCD

+ Benzene = ( • Benzene )

By formula: Bi⁺ + C₆H₆ = (Bi⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	<149.	kJ/mol	PDis	Willey, Yeh, et al., 1992	RCD

+ Benzene = ( • Benzene )

By formula: Br^- + C₆H₆ = (Br^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.1	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	71.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/mol	IMRE	Paul and Kebarle, 1991	gas phase; B
Δ_rG°	16. ± 11.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
0.0	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

CH₆N⁺ + Benzene = (CH₆N⁺ • Benzene )

By formula: CH₆N⁺ + C₆H₆ = (CH₆N⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	78.7	kJ/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M

C₂H₇O⁺ + Benzene = (C₂H₇O⁺ • Benzene )

By formula: C₂H₇O⁺ + C₆H₆ = (C₂H₇O⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	88.	kJ/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
36.	491.	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

C₃H₃⁺ + Benzene = (C₃H₃⁺ • Benzene )

By formula: C₃H₃⁺ + C₆H₆ = (C₃H₃⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.	kJ/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	40.	J/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.	kJ/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M

C₃H₉Si⁺ + Benzene = (C₃H₉Si⁺ • Benzene )

By formula: C₃H₉Si⁺ + C₆H₆ = (C₃H₉Si⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	100.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	145.	J/mol*K	PHPMS	Wojtyniak and Stone, 1986	gas phase; M

C₃H₁₀N⁺ + Benzene = (C₃H₁₀N⁺ • Benzene )

By formula: C₃H₁₀N⁺ + C₆H₆ = (C₃H₁₀N⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	66.5	kJ/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	116.	J/mol*K	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M

C₄H₄S⁺ + Benzene = (C₄H₄S⁺ • Benzene )

By formula: C₄H₄S⁺ + C₆H₆ = (C₄H₄S⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.	kJ/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.	J/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; M

C₄H₉⁺ + Benzene = (C₄H₉⁺ • Benzene )

By formula: C₄H₉⁺ + C₆H₆ = (C₄H₉⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	92.	kJ/mol	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	210.	J/mol*K	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M

C₆H₅Cl⁺ + Benzene = (C₆H₅Cl⁺ • Benzene )

By formula: C₆H₅Cl⁺ + C₆H₆ = (C₆H₅Cl⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.6	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₆H₆⁺ + Benzene = (C₆H₆⁺ • Benzene )

By formula: C₆H₆⁺ + C₆H₆ = (C₆H₆⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60. ± 30.	kJ/mol	AVG	N/A	Average of 7 out of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Δ_rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Δ_rS°	96.	J/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; M

(C₆H₆⁺ • Benzene ) + Benzene = (C₆H₆⁺ • 2 Benzene )

By formula: (C₆H₆⁺ • C₆H₆) + C₆H₆ = (C₆H₆⁺ • 2C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33. ± 2.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	82.8	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M

(C₆H₆⁺ • 2 Benzene ) + Benzene = (C₆H₆⁺ • 3 Benzene )

By formula: (C₆H₆⁺ • 2C₆H₆) + C₆H₆ = (C₆H₆⁺ • 3C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/mol*K	N/A	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M

(C₆H₆⁺ • 5 Benzene ) + Benzene = (C₆H₆⁺ • 6 Benzene )

By formula: (C₆H₆⁺ • 5C₆H₆) + C₆H₆ = (C₆H₆⁺ • 6C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 6 Benzene ) + Benzene = (C₆H₆⁺ • 7 Benzene )

By formula: (C₆H₆⁺ • 6C₆H₆) + C₆H₆ = (C₆H₆⁺ • 7C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 7 Benzene ) + Benzene = (C₆H₆⁺ • 8 Benzene )

By formula: (C₆H₆⁺ • 7C₆H₆) + C₆H₆ = (C₆H₆⁺ • 8C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 8 Benzene ) + Benzene = (C₆H₆⁺ • 9 Benzene )

By formula: (C₆H₆⁺ • 8C₆H₆) + C₆H₆ = (C₆H₆⁺ • 9C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 9 Benzene ) + Benzene = (C₆H₆⁺ • 10 Benzene )

By formula: (C₆H₆⁺ • 9C₆H₆) + C₆H₆ = (C₆H₆⁺ • 10C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 10 Benzene ) + Benzene = (C₆H₆⁺ • 11 Benzene )

By formula: (C₆H₆⁺ • 10C₆H₆) + C₆H₆ = (C₆H₆⁺ • 11C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 11 Benzene ) + Benzene = (C₆H₆⁺ • 12 Benzene )

By formula: (C₆H₆⁺ • 11C₆H₆) + C₆H₆ = (C₆H₆⁺ • 12C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	33.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 12 Benzene ) + Benzene = (C₆H₆⁺ • 13 Benzene )

By formula: (C₆H₆⁺ • 12C₆H₆) + C₆H₆ = (C₆H₆⁺ • 13C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 13 Benzene ) + Benzene = (C₆H₆⁺ • 14 Benzene )

By formula: (C₆H₆⁺ • 13C₆H₆) + C₆H₆ = (C₆H₆⁺ • 14C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.	kJ/mol	PDiss	Beck and Hecht, 1991	gas phase; M

C₆H₆NO^- + 2 Benzene = C₁₂H₁₂NO^-

By formula: C₆H₆NO^- + 2C₆H₆ = C₁₂H₁₂NO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.2 ± 9.6	kJ/mol	N/A	Le Barbu, Schiedt, et al., 2002	gas phase; Affinity is difference in EAs of lesser solvated species; B

C₆H₇⁺ + Benzene = (C₆H₇⁺ • Benzene )

By formula: C₆H₇⁺ + C₆H₆ = (C₆H₇⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₆H₇N⁺ + Benzene = (C₆H₇N⁺ • Benzene )

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

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.6	J/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₇H₈⁺ + Benzene = (C₇H₈⁺ • Benzene )

By formula: C₇H₈⁺ + C₆H₆ = (C₇H₈⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.0	kJ/mol	MPI	Ernstberger, Krause, et al., 1990	gas phase; M
Δ_rH°	23.	kJ/mol	PI	Ruhl, Bisling, et al., 1986	gas phase; from vIP of perpendicular dimer; M
Δ_rH°	51.9	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₇H₉N⁺ + Benzene = (C₇H₉N⁺ • Benzene )

By formula: C₇H₉N⁺ + C₆H₆ = (C₇H₉N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.5	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₈H₁₁N⁺ + Benzene = (C₈H₁₁N⁺ • Benzene )

By formula: C₈H₁₁N⁺ + C₆H₆ = (C₈H₁₁N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.8	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.2	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₉H₁₂⁺ + Benzene = (C₉H₁₂⁺ • Benzene )

By formula: C₉H₁₂⁺ + C₆H₆ = (C₉H₁₂⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.4	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₉H₁₃N⁺ + Benzene = (C₉H₁₃N⁺ • Benzene )

By formula: C₉H₁₃N⁺ + C₆H₆ = (C₉H₁₃N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.9	kJ/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
11.	331.	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₁₀H₁₀Fe⁺ + Benzene = (C₁₀H₁₀Fe⁺ • Benzene )

By formula: C₁₀H₁₀Fe⁺ + C₆H₆ = (C₁₀H₁₀Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.	kJ/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/mol*K	N/A	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
13.	252.	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

C₁₁H₁₀⁺ + Benzene = (C₁₁H₁₀⁺ • Benzene )

By formula: C₁₁H₁₀⁺ + C₆H₆ = (C₁₁H₁₀⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.	kJ/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M

+ Benzene = ( • Benzene )

By formula: Cd⁺ + C₆H₆ = (Cd⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	136. ± 19.	kJ/mol	RAK	Ho, Yang, et al., 1997	RCD

+ Benzene = ( • Benzene )

By formula: Cl^- + C₆H₆ = (Cl^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	25.1 ± 1.9	kJ/mol	N/A	Tschurl, Ueberfluss, et al., 2007	gas phase; B
Δ_rH°	39. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	41.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rH°	36.	kJ/mol	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rH°	43.5	kJ/mol	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	74.9	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	71.	J/mol*K	N/A	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rS°	71.5	J/mol*K	N/A	Larson and McMahon, 1984, 2	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δ_rS°	92.	J/mol*K	N/A	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	17. ± 11.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	16. ± 6.7	kJ/mol	IMRE	Chowdhury and Kebarle, 1986	gas phase; B
Δ_rG°	20. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rG°	15.9	kJ/mol	IMRE	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
15.	300.	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
16.	300.	PHPMS	Chowdhury and Kebarle, 1986	gas phase; M
16.	300.	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M

+ Benzene = ( • Benzene )

By formula: Co⁺ + C₆H₆ = (Co⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	256. ± 11.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
256. (+10.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Co⁺ • C₆H₆) + C₆H₆ = (Co⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	167. ± 14.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	116.	J/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
167. (+13.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M
113. (+4.2,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

+ Benzene = ( • Benzene )

By formula: Cr⁺ + C₆H₆ = (Cr⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	168.	kJ/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	164. ± 14.	kJ/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	170. ± 10.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
170. (+9.6,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cr⁺ • C₆H₆) + C₆H₆ = (Cr⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	212. ± 38.	kJ/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	232. ± 18.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
231. (+18.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: Cs⁺ + C₆H₆ = (Cs⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.4 ± 5.0	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cs⁺ • C₆H₆) + C₆H₆ = (Cs⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.6 ± 7.9	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Cu⁺ + C₆H₆ = (Cu⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	218. ± 10.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
218. (+9.6,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cu⁺ • C₆H₆) + C₆H₆ = (Cu⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	155. ± 12.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
155. (+12.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: F^- + C₆H₆ = (F^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	64.02	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	81.6	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	39.3	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B

+ Benzene = ( • Benzene )

By formula: Fe⁺ + C₆H₆ = (Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	197.	kJ/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	207. ± 12.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
208. (+9.6,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Fe⁺ • C₆H₆) + C₆H₆ = (Fe⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	187. ± 16.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
187. (+16.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: H₄N⁺ + C₆H₆ = (H₄N⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	80.8	kJ/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	97.5	J/mol*K	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (H₄N⁺ • C₆H₆) + C₆H₆ = (H₄N⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	71.1	kJ/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • 2 Benzene ) + Benzene = ( • 3 Benzene )

By formula: (H₄N⁺ • 2C₆H₆) + C₆H₆ = (H₄N⁺ • 3C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.4	kJ/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	138.	J/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

+ Benzene = ( • Benzene )

By formula: I^- + C₆H₆ = (I^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26. ± 8.4	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	38. ± 4.2	kJ/mol	TDAs	Caldwell, Masucci, et al., 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	59.4	J/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8. ± 11.	kJ/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

+ Benzene = ( • Benzene )

By formula: K⁺ + C₆H₆ = (K⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73. ± 4.	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	80.3	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (K⁺ • C₆H₆) + C₆H₆ = (K⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67.4 ± 7.1	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	78.7	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	142.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • 2 Benzene ) + Benzene = ( • 3 Benzene )

By formula: (K⁺ • 2C₆H₆) + C₆H₆ = (K⁺ • 3C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.7	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	137.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • 3 Benzene ) + Benzene = ( • 4 Benzene )

By formula: (K⁺ • 3C₆H₆) + C₆H₆ = (K⁺ • 4C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.7	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	173.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • Benzene • ) + Benzene = ( • 2 Benzene • )

By formula: (K⁺ • C₆H₆ • H₂O) + C₆H₆ = (K⁺ • 2C₆H₆ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.2	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	126.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

( • Benzene • 2) + Benzene = ( • 2 Benzene • 2)

By formula: (K⁺ • C₆H₆ • 2H₂O) + C₆H₆ = (K⁺ • 2C₆H₆ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	53.6	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	141.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

( • ) + Benzene = ( • Benzene • )

By formula: (K⁺ • H₂O) + C₆H₆ = (K⁺ • C₆H₆ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.3	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	113.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

( • 2) + Benzene = ( • Benzene • 2)

By formula: (K⁺ • 2H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	56.1	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	102.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

( • 3) + Benzene = ( • Benzene • 3)

By formula: (K⁺ • 3H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.7	kJ/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

+ Benzene = ( • Benzene )

By formula: Li⁺ + C₆H₆ = (Li⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	161. ± 13.	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	159.	kJ/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δ_rH°	153.	kJ/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	N/A	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	124.	kJ/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Li⁺ • C₆H₆) + C₆H₆ = (Li⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	104. ± 7.1	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Mg⁺ + C₆H₆ = (Mg⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	134. ± 9.6	kJ/mol	CIDT	Andersen, Muntean, et al., 2000	RCD
Δ_rH°	155.	kJ/mol	RAK	Gapeev and Dunbar, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Mn⁺ + C₆H₆ = (Mn⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	144.	kJ/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	133. ± 9.2	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
133. (+8.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Mn⁺ • C₆H₆) + C₆H₆ = (Mn⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	203. ± 16.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
203. (+16.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = C₆H₆NO^-

By formula: NO^- + C₆H₆ = C₆H₆NO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40. ± 9.6	kJ/mol	N/A	Le Barbu, Schiedt, et al., 2002	gas phase; Affinity is difference in EAs of lesser solvated species; B

+ Benzene = ( • Benzene )

By formula: NO^- + C₆H₆ = (NO^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	172.	kJ/mol	ICR	Reents and Freiser, 1981	gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

+ Benzene = ( • Benzene )

By formula: Na⁺ + C₆H₆ = (Na⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	95.4 ± 5.9	kJ/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	88.3 ± 5.0	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	88.3 ± 4.6	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	117.	kJ/mol	HPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	HPMS	Guo, Purnell, et al., 1990	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
65.7	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Na⁺ • C₆H₆) + C₆H₆ = (Na⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	81. ± 5.	kJ/mol	AVG	N/A	Average of 7 values; Individual data points

+ Benzene = ( • Benzene )

By formula: Ni⁺ + C₆H₆ = (Ni⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	243. ± 11.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
243. (+10.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ni⁺ • C₆H₆) + C₆H₆ = (Ni⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	147. ± 12.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
147. (+12.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = C₆H₆O₂^-

By formula: O₂^- + C₆H₆ = C₆H₆O₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	59.0 ± 9.6	kJ/mol	N/A	Le Barbu, Schiedt, et al., 2002	gas phase; Affinity is difference in EAs of lesser solvated species; B

+ Benzene = ( • Benzene )

By formula: Pb⁺ + C₆H₆ = (Pb⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	110.	kJ/mol	PHPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.4	J/mol*K	PHPMS	Guo, Purnell, et al., 1990	gas phase; M

+ Benzene = ( • Benzene )

By formula: Rb⁺ + C₆H₆ = (Rb⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69. ± 4.	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Rb⁺ • C₆H₆) + C₆H₆ = (Rb⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.8 ± 7.9	kJ/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Ti⁺ + C₆H₆ = (Ti⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	213.	kJ/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	259. ± 9.2	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
259. (+8.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ti⁺ • C₆H₆) + C₆H₆ = (Ti⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	253. ± 18.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
253. (+18.,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: V⁺ + C₆H₆ = (V⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>230.	kJ/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	234. ± 10.	kJ/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
233. (+9.6,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (V⁺ • C₆H₆) + C₆H₆ = (V⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	246. ± 18.	kJ/mol	CID	Meyer, Khan, et al., 1995	gas phase; Δ_rH(0k), guided ion beam CID; M,RCD

(V^- • ) + Benzene = (V^- • Benzene • )

By formula: (V^- • C₆H₅F) + C₆H₆ = (V^- • C₆H₆ • C₆H₅F)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10. ± 63.	kJ/mol	N/A	Judai, Hirano, et al., 1997	gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Origin	NIST Mass Spectrometry Data Center, 1990.
NIST MS number	114388

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References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes

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Notes

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Symbols used in this document:

AE	Appearance energy
IE (evaluated)	Recommended ionization energy
T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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NIST Chemistry WebBook, SRD 69

Benzene

Data at NIST subscription sites:

Gas phase ion energetics data

Proton affinity at 298K

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Free energy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Mass spectrum (electron ionization)

Spectrum

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