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
- Phase change data
- Reaction thermochemistry data: reactions 51 to 99
- Henry's Law data
- Gas phase ion energetics data
- IR Spectrum
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
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Condensed phase thermochemistry data

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	12. ± 0.2	kcal/mol	Review	Roux, Temprado, et al., 2008	There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δ_fH°_liquid	11.70 ± 0.13	kcal/mol	Ccb	Good and Smith, 1969	ALS
Δ_fH°_liquid	11.72 ± 0.12	kcal/mol	Ccb	Prosen, Gilmont, et al., 1945	Hf by Prosen, Johnson, et al., 1946; ALS
Δ_fH°_liquid	11.0	kcal/mol	Ccb	Landrieu, Baylocq, et al., 1929	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-781. ± 4.	kcal/mol	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	41.410	cal/mol*K	N/A	Oliver, Eaton, et al., 1948	DH
S°_liquid	41.90	cal/mol*K	N/A	Huffman, Parks, et al., 1930	Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	10.89	cal/mol*K	N/A	Ahlberg, Blanchard, et al., 1937	DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
32.431	298.15	Grolier, Roux-Desgranges, et al., 1993	DH
32.48	298.5	Czarnota, 1991	p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
32.414	298.15	Lainez, Rodrigo, et al., 1989	DH
32.177	298.15	Shiohama, Ogawa, et al., 1988	DH
32.445	298.15	Grolier, Roux-Desgranges, et al., 1987	DH
32.173	293.15	Kalali, Kohler, et al., 1987	T = 293.15, 313.15 K.; DH
32.4348	298.15	Tanaka, 1987	DH
33.44	322.05	Naziev, Bashirov, et al., 1986	T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
32.84	303.15	Reddy, 1986	T = 303.15, 313.15 K.; DH
32.519	298.15	Ogawa and Murakami, 1985	DH
32.4374	298.15	Tanaka, 1985	DH
32.562	298.15	Gorbunova, Simonov, et al., 1983	T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH
32.62	300.	Gorbunova, Grigoriev, et al., 1982	T = 280 to 353 K. Data also given by equation.; DH
32.43	298.15	Grolier, Inglese, et al., 1982	T = 298.15 K.; DH
32.443	298.15	Tanaka, 1982	Temperatures 293.15, 298.15, 303.15 K.; DH
32.409	298.15	Wilhelm, Faradjzadeh, et al., 1982	DH
31.93	293.15	Atalla, El-Sharkawy, et al., 1981	DH
32.481	298.15	Vesely, Zabransky, et al., 1979	DH
32.412	298.15	Grolier, Wilhelm, et al., 1978	DH
32.481	298.15	Vesely, Svoboda, et al., 1977	T = 298 to 318 K.; DH
32.409	298.15	Wilhelm, Grolier, et al., 1977	DH
32.447	298.15	Fortier, Benson, et al., 1976	DH
32.4474	298.15	Fortier and Benson, 1976	DH
32.43	298.15	Rajagopal and Subrahmanyam, 1974	T = 298.15 to 323.15 K.; DH
32.10	298.	Deshpande and Bhatagadde, 1971	T = 298 to 318 K.; DH
32.48	298.15	Hyder Khan and Subrahmanyam, 1971	T = 298; 313 K.; DH
32.48	298.	Subrahmanyam and Khan, 1969	DH
32.36	298.	Recko, 1968	T = 24 to 40°C, equation only.; DH
31.1	298.	Pacor, 1967	DH
32.17	293.	Rastorguev and Ganiev, 1967	T = 293 to 353 K.; DH
32.337	300.	Findenegg, Gruber, et al., 1965	DH
32.261	298.	Rabinovich and Nikolaev, 1962	T = 10 to 35°C.; DH
32.29	316.	Swietoslawski and Zielenkiewicz, 1960	Mean value 21 to 66°C.; DH
32.60	303.	Duff and Everett, 1956	T = 303 to 353 K.; DH
32.321	298.	Staveley, Tupman, et al., 1955	T = 288 to 347 K.; DH
7.60	293.	Sieg, Crtzen, et al., 1951	DH
32.519	298.15	Oliver, Eaton, et al., 1948	T = 13 to 337 K.; DH
28.4	295.	Tschamler, 1948	DH
31.91	298.	Kurbatov, 1947	T = 9 to 80°C, mean Cp, five temperatures.; DH
32.50	298.1	Zhdanov, 1941	T = 8 to 46°C.; DH
32.371	298.2	Burlew, 1940	T = 281 to 353 K.; DH
31.41	287.8	Kolosovskii and Udovenko, 1934	DH
31.41	287.8	de Kolossowsky and Udowenko, 1933	DH
31.41	298.15	Ferguson and Miller, 1933	T = 293 to 323 K. Data calculated from equation.; DH
32.29	298.1	Richards and Wallace, 1932	T = 293 to 333 K.; DH
34.314	323.15	Fiock, Ginnings, et al., 1931	T = 50 to 110°C.; DH
32.29	300.0	Huffman, Parks, et al., 1930	T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
31.60	298.	Andrews, Lynn, et al., 1926	T = -18 to 110°C.; DH
31.81	293.2	Williams and Daniels, 1925	T = 20 to 60°C.; DH
32.00	303.	Willams and Daniels, 1924	T = 303 to 333 K. Equation only.; DH
32.79	298.	Dejardin, 1919	T = 24 to 50°C.; DH
31.91	298.	von Reis, 1881	T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
11.44	90.	Ahlberg, Blanchard, et al., 1937	T = 4 to 93 K.; DH
23.4	223.9	Aoyama and Kanda, 1935	T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
28.30	273.	Maass and Walbauer, 1925	T = 93 to 273 K.; DH

Reaction thermochemistry data

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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.

Reactions 1 to 50

+ Benzene = ( • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.00 ± 0.46	kcal/mol	N/A	Tschurl, Ueberfluss, et al., 2007	gas phase; B
Δ_rH°	9.4 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.90	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rH°	8.7	kcal/mol	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rH°	10.4	kcal/mol	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/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°	17.1	cal/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°	22.	cal/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°	4.0 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.8 ± 1.6	kcal/mol	IMRE	Chowdhury and Kebarle, 1986	gas phase; B
Δ_rG°	4.8 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rG°	3.80	kcal/mol	IMRE	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

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

C₆H₅^- + = Benzene

By formula: C₆H₅^- + H⁺ = C₆H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	401.22 ± 0.50	kcal/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°	401.16 ± 0.21	kcal/mol	D-EA	Gunion, Gilles, et al., 1992	gas phase; B
Δ_rH°	400.7 ± 2.5	kcal/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rH°	401. ± 10.	kcal/mol	CIDT	Graul and Squires, 1990	gas phase; B
Δ_rH°	398.0 ± 5.6	kcal/mol	G+TS	Bohme and Young, 1971	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	392.40 ± 0.40	kcal/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°	390.9 ± 2.0	kcal/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rG°	390.1 ± 6.5	kcal/mol	IMRB	Bartmess and McIver Jr., 1979	gas phase; B
Δ_rG°	389.2 ± 5.5	kcal/mol	IMRB	Bohme and Young, 1971	gas phase; B

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°	14. ± 8.	kcal/mol	AVG	N/A	Average of 7 out of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Δ_rS°	27.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Δ_rS°	23.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; M

+ Benzene = ( • Benzene )

By formula: Li⁺ + C₆H₆ = (Li⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.5 ± 3.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	37.9	kcal/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°	36.5	kcal/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°	27.5	cal/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°	29.7	kcal/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 )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; B
Δ_rG°	3.9 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

Free energy of reaction

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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20. ± 1.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points

+ Benzene = ( • Benzene )

By formula: Na⁺ + C₆H₆ = (Na⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.8 ± 1.4	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	21.1 ± 1.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	21.1 ± 1.1	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	28.0	kcal/mol	HPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.2	cal/mol*K	HPMS	Guo, Purnell, et al., 1990	gas phase; M

Free energy of reaction

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

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°	11.2	kcal/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°	26.	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
2.6	331.	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; 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°	12.3	kcal/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°	26.	cal/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°	4.6	kcal/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°	10.0	kcal/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°	26.	cal/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°	2.2	kcal/mol	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°	8.	kcal/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°	20.	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	252.	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.9 ± 3.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.8	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
39.9 (+3.2,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M
27.0 (+1.0,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); 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°	12.2	kcal/mol	MPI	Ernstberger, Krause, et al., 1990	gas phase; M
Δ_rH°	5.5	kcal/mol	PI	Ruhl, Bisling, et al., 1986	gas phase; from vIP of perpendicular dimer; M
Δ_rH°	12.4	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₂H₇O⁺ + Benzene = (C₂H₇O⁺ • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.4	kcal/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°	30.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

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

By formula: (K⁺ • 2H₂O • C₆H₆) + H₂O = (K⁺ • 3H₂O • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.3	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

( • • Benzene ) + = ( • 2 • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.7	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.4	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

+ Benzene = ( • Benzene )

By formula: I^- + C₆H₆ = (I^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.1 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.1 ± 1.0	kcal/mol	TDAs	Caldwell, Masucci, et al., 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

C₃H₃⁺ + Benzene = (C₃H₃⁺ • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	9.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.4	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; 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°	7.0	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8	kcal/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°	33.7	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

+ Benzene = ( • Benzene )

By formula: Cr⁺ + C₆H₆ = (Cr⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40.2	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	39.2 ± 3.3	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	40.6 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
40.6 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • 2 Benzene ) + = ( • • 2 Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.7	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

( • Benzene ) + = ( • • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.1	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.9	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ C6H6)C6H6; 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°	13.4	kcal/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°	24.3	cal/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°	12.6	kcal/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°	27.6	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

( • ) + Benzene = ( • Benzene • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8	kcal/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°	27.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.7 ± 9.1	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	55.4 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.3 (+4.4,-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°	15.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B

+ Benzene = ( • Benzene )

By formula: Mn⁺ + C₆H₆ = (Mn⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.4	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	31.8 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
31.8 (+2.1,-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°	>55.	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	55.9 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.8 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: Fe⁺ + C₆H₆ = (Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.1	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	49.5 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
49.6 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: Ti⁺ + C₆H₆ = (Ti⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.9	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	61.9 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
61.8 (+2.1,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.1 ± 1.7	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	18.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.9	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

C₄H₉⁺ + Benzene = (C₄H₉⁺ • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.	kcal/mol	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	49.	cal/mol*K	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; 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°	7.8 ± 0.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M

+ Benzene = ( • Benzene )

By formula: K⁺ + C₆H₆ = (K⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.5 ± 0.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	19.2	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.6	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	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°	11.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; 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°	9.0	kcal/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.0	cal/mol*K	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; 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°	14.0	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; 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°	10.6	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

+ Benzene = ( • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.1	kcal/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 = ( • 2 Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.7 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
44.7 (+3.9,-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°	60.5 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
60.4 (+4.4,-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°	48.5 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
48.4 (+3.9,-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°	35.1 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
35.1 (+2.8,-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°	37.0 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
37.1 (+2.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

(CAS Reg. No. 79431-04-2 • 4294967295 Benzene ) + Benzene = CAS Reg. No. 79431-04-2

By formula: (CAS Reg. No. 79431-04-2 • 4294967295C₆H₆) + C₆H₆ = CAS Reg. No. 79431-04-2

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.5 ± 4.2	kcal/mol	Ther	Lee and Squires, 1986	gas phase; Between SiH₄, tBuOH; value altered from reference due to change in acidity scale; B

+ Benzene = ( • Benzene )

By formula: Ni⁺ + C₆H₆ = (Ni⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.1 ± 2.6	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
58.1 (+2.5,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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°	37.3 ± 1.7	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	39.9 ± 4.5	kcal/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°	39.9 ± 4.5	kcal/mol	RAK	Ho, Yang, et al., 1997	RCD

+ Benzene = ( • Benzene )

By formula: Al⁺ + C₆H₆ = (Al⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.1 ± 1.9	kcal/mol	RAK	Dunbar, Klippenstein, et al., 1996	RCD

+ Benzene = ( • Benzene )

By formula: Au⁺ + C₆H₆ = (Au⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.0	kcal/mol	IMRB	Schroeder, Hrusak, et al., 1995	RCD

+ Benzene = ( • Benzene )

By formula: Bi⁺ + C₆H₆ = (Bi⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	<35.5	kcal/mol	PDis	Willey, Yeh, et al., 1992	RCD

+ Benzene = ( • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; B
Δ_rG°	3.9 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

Free energy of reaction

Δ_rG° (kcal/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°	18.8	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.1	cal/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°	21.	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.7	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°	9.0	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	9.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.	kcal/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°	23.9	kcal/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	34.7	cal/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°	15.9	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.7	cal/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°	13.	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/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°	22.	kcal/mol	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	49.	cal/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°	14.0	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/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°	14. ± 8.	kcal/mol	AVG	N/A	Average of 7 out of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Δ_rS°	27.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Δ_rS°	23.	cal/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°	7.8 ± 0.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/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°	7.0	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/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°	8.5	kcal/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°	8.3	kcal/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°	8.0	kcal/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°	7.9	kcal/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°	7.8	kcal/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°	7.8	kcal/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°	8.0	kcal/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°	8.3	kcal/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°	8.1	kcal/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°	17.5 ± 2.3	kcal/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°	11.0	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.	cal/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°	11.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.6	cal/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°	12.2	kcal/mol	MPI	Ernstberger, Krause, et al., 1990	gas phase; M
Δ_rH°	5.5	kcal/mol	PI	Ruhl, Bisling, et al., 1986	gas phase; from vIP of perpendicular dimer; M
Δ_rH°	12.4	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/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°	12.3	kcal/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°	26.	cal/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°	4.6	kcal/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°	10.0	kcal/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°	26.	cal/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°	2.2	kcal/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°	10.6	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/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°	11.2	kcal/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°	26.	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
2.6	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°	8.	kcal/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°	20.	cal/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° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	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°	9.0	kcal/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.0	cal/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°	32.5 ± 4.5	kcal/mol	RAK	Ho, Yang, et al., 1997	RCD

+ Benzene = ( • Benzene )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.00 ± 0.46	kcal/mol	N/A	Tschurl, Ueberfluss, et al., 2007	gas phase; B
Δ_rH°	9.4 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.90	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rH°	8.7	kcal/mol	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rH°	10.4	kcal/mol	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/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°	17.1	cal/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°	22.	cal/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°	4.0 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.8 ± 1.6	kcal/mol	IMRE	Chowdhury and Kebarle, 1986	gas phase; B
Δ_rG°	4.8 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rG°	3.80	kcal/mol	IMRE	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.6	300.	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8	300.	PHPMS	Chowdhury and Kebarle, 1986	gas phase; M
3.8	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°	61.2 ± 2.6	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
61.1 (+2.5,-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°	39.9 ± 3.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.8	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
39.9 (+3.2,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M
27.0 (+1.0,-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°	40.2	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	39.2 ± 3.3	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	40.6 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
40.6 (+2.3,-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°	50.7 ± 9.1	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	55.4 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.3 (+4.4,-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°	15.4 ± 1.2	kcal/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°	14.0 ± 1.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Cu⁺ + C₆H₆ = (Cu⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.1 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
52.1 (+2.3,-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°	37.0 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
37.1 (+2.8,-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°	15.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.40	kcal/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°	47.1	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	49.5 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
49.6 (+2.3,-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°	44.7 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
44.7 (+3.9,-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°	19.3	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.3	cal/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°	17.0	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.5	cal/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°	14.2	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.9	cal/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°	6.1 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.1 ± 1.0	kcal/mol	TDAs	Caldwell, Masucci, et al., 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 2.6	kcal/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°	17.5 ± 0.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	19.2	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.6	cal/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°	16.1 ± 1.7	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	18.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.9	cal/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°	14.5	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.7	cal/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°	12.6	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	41.4	cal/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°	14.4	kcal/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°	30.1	cal/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°	12.8	kcal/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°	33.7	cal/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°	16.8	kcal/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°	27.1	cal/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°	13.4	kcal/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°	24.3	cal/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°	12.6	kcal/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°	27.6	cal/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°	38.5 ± 3.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	37.9	kcal/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°	36.5	kcal/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°	27.5	cal/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°	29.7	kcal/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°	24.9 ± 1.7	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Mg⁺ + C₆H₆ = (Mg⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.0 ± 2.3	kcal/mol	CIDT	Andersen, Muntean, et al., 2000	RCD
Δ_rH°	37.0	kcal/mol	RAK	Gapeev and Dunbar, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Mn⁺ + C₆H₆ = (Mn⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.4	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	31.8 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
31.8 (+2.1,-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°	48.5 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
48.4 (+3.9,-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°	9.5 ± 2.3	kcal/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°	41.1	kcal/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°	22.8 ± 1.4	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	21.1 ± 1.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	21.1 ± 1.1	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	28.0	kcal/mol	HPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.2	cal/mol*K	HPMS	Guo, Purnell, et al., 1990	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.7	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°	20. ± 1.	kcal/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°	58.1 ± 2.6	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
58.1 (+2.5,-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°	35.1 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
35.1 (+2.8,-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°	14.1 ± 2.3	kcal/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°	26.2	kcal/mol	PHPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.6	cal/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°	16.4 ± 0.9	kcal/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°	15.0 ± 1.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Ti⁺ + C₆H₆ = (Ti⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.9	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	61.9 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
61.8 (+2.1,-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°	60.5 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
60.4 (+4.4,-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°	>55.	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	55.9 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.8 (+2.3,-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°	58.8 ± 4.4	kcal/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°	3. ± 15.	kcal/mol	N/A	Judai, Hirano, et al., 1997	gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, References, Notes

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

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

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References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), Notes

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Good and Smith, 1969
Good, W.D.; Smith, N.K., Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane, J. Chem. Eng. Data, 1969, 14, 102-106. [all data]

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Prosen, E.J.; Gilmont, R.; Rossini, F.D., Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene, J. Res. NBS, 1945, 34, 65-70. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C₁₀H₁₄, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

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Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Oliver, Eaton, et al., 1948
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Huffman, H.M.; Parks, G.S.; Daniels, A.C., Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]

Ahlberg, Blanchard, et al., 1937
Ahlberg, J.E.; Blanchard, E.R.; Lundberg, W.O., The heat capacities of benzene, methyl alcohol and glycerol at very low temperatures, J. Chem. Phys., 1937, 5, 537-551. [all data]

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Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E., Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide, J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]

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Czarnota, I., Heat capacity of benzene at high pressures, J. Chem. Thermodynam., 1991, 23, 25-30. [all data]

Lainez, Rodrigo, et al., 1989
Lainez, A.; Rodrigo, M.M.; Wilhelm, E.; Grolier, J.-P.E., Excess volumes and excess heaat capacitiies of some mixtures with trans,trans,cis-1,5,9-cyclododecatriene at 298.15K, J. Chem. Eng. Data, 1989, 34, 332-335. [all data]

Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I., Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K, J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]

Grolier, Roux-Desgranges, et al., 1987
Grolier, J.-P.E.; Roux-Desgranges, G.; Kooner, Z.S.; Smith, J.F.; Hepler, L.G., Thermal and volumetric properties of chloroform + benzene mixtures and the ideal associated solution model of complex formation, J. Solution Chem., 1987, 16, 745-752. [all data]

Kalali, Kohler, et al., 1987
Kalali, H.; Kohler, F.; Svejda, P., Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane), Monatsh. Chem., 1987, 118, 1-18. [all data]

Tanaka, 1987
Tanaka, R., Excess heat capacities for mixture of benzene with n-heptane at 293.15, 298.15 and 303.15 K, J. Chem. Eng. Data, 1987, 32, 176-177. [all data]

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Tanaka, R., Excess heat capacities for mixtures of benzene with cyclopentane, methylcyclohexane, and cyclooctane at 298.15 K, J. Chem. Eng. Data, 1985, 30, 267-269. [all data]

Gorbunova, Simonov, et al., 1983
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Grolier, Inglese, et al., 1982
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess volumes and excess heat capacities of tetrachloroethene + cyclohexane, + methylcyclohexane, + benzene, and + toluene at 298.15 K, J. Chem. Thermodynam., 1982, 14, 523-529. [all data]

Tanaka, 1982
Tanaka, R., Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter, J. Chem. Thermodynam., 1982, 14, 259-268. [all data]

Wilhelm, Faradjzadeh, et al., 1982
Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E., Excess volumes and excess heat capacities of 2,3-dimethylbutane + butane and + toluene, J. Chem. Thermodynam., 1982, 14, 1199-1200. [all data]

Atalla, El-Sharkawy, et al., 1981
Atalla, S.R.; El-Sharkawy, A.A.; Gasser, F.A., Measurement of thermal properties of liquids with an AC heated-wire technique, Inter. J. Thermophys., 1981, 2(2), 155-162. [all data]

Vesely, Zabransky, et al., 1979
Vesely, F.; Zabransky, M.; Svoboda, V.; Pick, J., The use of mixing calorimeter for measuring heat capacities of liquids, Coll. Czech. Chem. Commun., 1979, 44, 3529-3532. [all data]

Grolier, Wilhelm, et al., 1978
Grolier, J.-P.E.; Wilhelm, E.; Hamedi, M.H., Molar heat capacities and isothermal compressibility of binary liquid mixtures: carbon tetrachloride + benzene, carbon tetrachloride + cyclohexane and benzene + cyclohexane, Ber. Bunsenges. Phys. Chem., 1978, 82, 1282-1290. [all data]

Vesely, Svoboda, et al., 1977
Vesely, F.; Svoboda, V.; Pick, J., Heat capacities of some organic liquids determined with the mixing calorimeter, 1st Czech. Conf. Calorimetry (Lect. Short Commun.), 1977, C9-1-C9-4. [all data]

Wilhelm, Grolier, et al., 1977
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Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References

Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
C_p,solid	Constant pressure heat capacity of solid
S°_liquid	Entropy of liquid at standard conditions
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
T	Temperature
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
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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Benzene

Data at NIST subscription sites:

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Constant pressure heat capacity of solid

Reaction thermochemistry data

Reactions 1 to 50

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Enthalpy 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

Enthalpy of reaction

Enthalpy of reaction

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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