Benzene

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Phase change data

Go To: Top, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil353.3 ± 0.1KAVGN/AAverage of 147 out of 183 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus278.64 ± 0.08KAVGN/AAverage of 57 out of 69 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple278.5 ± 0.6KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc562.0 ± 0.8KAVGN/AAverage of 36 out of 41 values; Individual data points
Quantity Value Units Method Reference Comment
Pc48.9 ± 0.4barAVGN/AAverage of 24 out of 26 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.25 ± 0.03l/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ρc3.9 ± 0.2mol/lAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
ΔvapH°33.9 ± 0.1kJ/molAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
ΔsubH°44.4kJ/molTE,MEKruif, 1980Based on data from 183. to 197. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
30.72353.3N/AMajer and Svoboda, 1985 
33.2320.N/ALubomska, Banas, et al., 2002Based on data from 305. to 345. K.; AC
35.6258. to 313.GCLiu and Dickhut, 1994AC
33.5311.EBAmbrose, Ewing, et al., 1990Based on data from 296. to 377. K.; AC
33.4307.CDong, Lin, et al., 1988AC
33.1314.CDong, Lin, et al., 1988AC
32.4324.CDong, Lin, et al., 1988AC
31.9332.CDong, Lin, et al., 1988AC
31.4344.CDong, Lin, et al., 1988AC
30.6353.CDong, Lin, et al., 1988AC
34.4294.AStephenson and Malanowski, 1987Based on data from 279. to 377. K.; AC
31.5368.AStephenson and Malanowski, 1987Based on data from 353. to 422. K.; AC
30.2435.AStephenson and Malanowski, 1987Based on data from 420. to 502. K.; AC
30.3516.AStephenson and Malanowski, 1987Based on data from 501. to 562. K.; AC
30.8352.N/ANatarajan, 1983AC
30.5361.N/ANatarajan, 1983AC
30.2366.N/ANatarajan, 1983AC
35.3343.N/ATsonopoulos and Wilson, 1983Based on data from 313. to 373. K.; AC
31.350.N/ARao and Viswanath, 1977AC
33.0 ± 0.1313.CSvoboda, Veselý, et al., 1973AC
32.2 ± 0.1328.CSvoboda, Veselý, et al., 1973AC
31.8 ± 0.1333.CSvoboda, Veselý, et al., 1973AC
31.4 ± 0.1343.CSvoboda, Veselý, et al., 1973AC
30.9 ± 0.1353.CSvoboda, Veselý, et al., 1973AC
32.6 ± 0.4313.DSCMita, Imai, et al., 1971AC
32.5 ± 0.5328.DSCMita, Imai, et al., 1971AC
31.6 ± 0.4345.DSCMita, Imai, et al., 1971AC
34.1299.N/AForziati, Norris, et al., 1949Based on data from 284. to 354. K.; AC
34.1293.N/AYarym-Agaev, Fedos'ev, et al., 1949AC
34.1297.N/AThomson, 1946Based on data from 282. to 354. K.; AC
31.2294.N/AScott and Brickwedde, 1945AC
34.1303.MMWillingham, Taylor, et al., 1945Based on data from 288. to 354. K.; AC
33.4313.EBSmith, 1941Based on data from 298. to 373. K.; AC
34.5288.N/AStuckey and Saylor, 1940Based on data from 273. to 348. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 293. to 469.
A (kJ/mol) 47.41
α 0.1231
β 0.3602
Tc (K) 562.1
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
333.4 to 373.54.725831660.652-1.461Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.
297.9 to 318.0.1459139.165-261.236Deshpande and Pandya, 1967Coefficents calculated by NIST from author's data.
421.56 to 554.84.603621701.07320.806Kalafati, Rasskazov, et al., 1967Coefficents calculated by NIST from author's data.
287.70 to 354.074.018141203.835-53.226Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
41.7258. to 273.N/ALiu and Dickhut, 1994AC
45.2264.AStephenson and Malanowski, 1987Based on data from 223. to 279. K. See also Ha, Morrison, et al., 1976.; AC
45.1278.N/AHessler, 1984AC
53.9 ± 0.8193.N/ADe Kruif and Van Ginkel, 1977AC
49.4 ± 0.4193.N/ADe Kruif and Van Ginkel, 1977AC
45.6279.MMJackowski, 1974Based on data from 221. to 268. K.; AC
44.1261.N/AJones, 1960AC
43.1229.N/AJones, 1960AC
44.6279.N/AMilazzo, 1956AC
46.6282.AStull, 1947Based on data from 263. to 270. K.; AC
38.303.VWolf and Weghofer, 1938ALS
44.6273.N/Ade Boer, 1936See also Jackowski, 1974.; AC
43.3226.AMündel, 1913Based on data from 214. to 238. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
9.8663278.69N/AOliver, Eaton, et al., 1948DH
9.916278.65N/AZiegler and Andrews, 1942DH
9.87278.7CDomalski and Hearing, 1996See also Andrews, Lynn, et al., 1926 and Ziegler and Andrews, 1942.; AC
9.300279.1N/ASmith, 1979DH
8.950278.8N/APacor, 1967DH
9.937278.6N/ATschamler, 1948DH
9.803278.6N/AHuffman, Parks, et al., 1930DH
9.875278.55N/AAndrews, Lynn, et al., 1926DH
10.000278.64N/AMaass and Walbauer, 1925DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
35.40278.69Oliver, Eaton, et al., 1948DH
35.59278.65Ziegler and Andrews, 1942DH
33.3279.1Smith, 1979DH
32.1278.8Pacor, 1967DH
35.19278.6Huffman, Parks, et al., 1930DH
35.5278.55Andrews, Lynn, et al., 1926DH
35.9278.64Maass and Walbauer, 1925DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Ion clustering data

Go To: Top, Phase change data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
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

Silver ion (1+) + Benzene = (Silver ion (1+) • Benzene)

By formula: Ag+ + C6H6 = (Ag+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°156. ± 7.1kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°167. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

(Silver ion (1+) • Benzene) + Benzene = (Silver ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°167. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

Aluminum ion (1+) + Benzene = (Aluminum ion (1+) • Benzene)

By formula: Al+ + C6H6 = (Al+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°147. ± 7.9kJ/molRAKDunbar, Klippenstein, et al., 1996RCD

Gold ion (1+) + Benzene = (Gold ion (1+) • Benzene)

By formula: Au+ + C6H6 = (Au+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°293.kJ/molIMRBSchroeder, Hrusak, et al., 1995RCD

Bismuth ion (1+) + Benzene = (Bismuth ion (1+) • Benzene)

By formula: Bi+ + C6H6 = (Bi+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°<149.kJ/molPDisWilley, Yeh, et al., 1992RCD

Bromine anion + Benzene = (Bromine anion • Benzene)

By formula: Br- + C6H6 = (Br- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°38. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°71.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°71.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°10. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; B
ΔrG°16. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
0.0423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

CH6N+ + Benzene = (CH6N+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°78.7kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

C2H7O+ + Benzene = (C2H7O+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.491.PHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°38.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°40.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°30.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

C3H9Si+ + Benzene = (C3H9Si+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°100.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°145.J/mol*KPHPMSWojtyniak and Stone, 1986gas phase; M

C3H10N+ + Benzene = (C3H10N+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°66.5kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°116.J/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

C4H4S+ + Benzene = (C4H4S+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°54.kJ/molHPMSField, Hamlet, et al., 1969gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°96.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°92.kJ/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
ΔrS°210.J/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas 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
ΔrH°58.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
ΔrH°60. ± 30.kJ/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
ΔrS°110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
ΔrS°96.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°33. ± 2.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°82.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°29.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°36.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°35.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°33.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°33.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°33.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°33.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°33.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°35.kJ/molPDissBeck and Hecht, 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°34.kJ/molPDissBeck and Hecht, 1991gas phase; M

C6H6NO- + 2Benzene = C12H12NO-

By formula: C6H6NO- + 2C6H6 = C12H12NO-

Quantity Value Units Method Reference Comment
ΔrH°73.2 ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas 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
ΔrH°46.0kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
ΔrH°49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°94.6J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas 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
ΔrH°51.0kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
ΔrH°23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
ΔrH°51.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
ΔrH°51.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°19.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas 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
ΔrH°41.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°9.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas 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
ΔrH°44.4kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
ΔrH°46.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C10H10Fe+ + Benzene = (C10H10Fe+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°30.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
13.252.PHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, 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
ΔrH°38.kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

Cadmium ion (1+) + Benzene = (Cadmium ion (1+) • Benzene)

By formula: Cd+ + C6H6 = (Cd+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°136. ± 19.kJ/molRAKHo, Yang, et al., 1997RCD

Chlorine anion + Benzene = (Chlorine anion • Benzene)

By formula: Cl- + C6H6 = (Cl- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°25.1 ± 1.9kJ/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
ΔrH°39. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°41.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrH°36.kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrH°43.5kJ/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°74.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°71.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrS°71.5J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°92.J/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°17. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°16. ± 6.7kJ/molIMREChowdhury and Kebarle, 1986gas phase; B
ΔrG°20. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrG°15.9kJ/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
16.300.PHPMSChowdhury and Kebarle, 1986gas phase; M
16.300.PHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

Cobalt ion (1+) + Benzene = (Cobalt ion (1+) • Benzene)

By formula: Co+ + C6H6 = (Co+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°256. ± 11.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Cobalt ion (1+) • Benzene) + Benzene = (Cobalt ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°167. ± 14.kJ/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
ΔrS°116.J/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
167. (+13.,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M
113. (+4.2,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Chromium ion (1+) + Benzene = (Chromium ion (1+) • Benzene)

By formula: Cr+ + C6H6 = (Cr+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°168.kJ/molMIDLin, Chen, et al., 1997RCD
ΔrH°164. ± 14.kJ/molRAKLin and Dunbar, 1997RCD
ΔrH°170. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Chromium ion (1+) • Benzene) + Benzene = (Chromium ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°212. ± 38.kJ/molRAKLin and Dunbar, 1997RCD
ΔrH°232. ± 18.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

By formula: Cs+ + C6H6 = (Cs+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°64.4 ± 5.0kJ/molCIDTAmicangelo and Armentrout, 2000RCD

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

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

Quantity Value Units Method Reference Comment
ΔrH°58.6 ± 7.9kJ/molCIDTAmicangelo and Armentrout, 2000RCD

Copper ion (1+) + Benzene = (Copper ion (1+) • Benzene)

By formula: Cu+ + C6H6 = (Cu+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°218. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Copper ion (1+) • Benzene) + Benzene = (Copper ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°155. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Fluorine anion + Benzene = (Fluorine anion • Benzene)

By formula: F- + C6H6 = (F- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°64.02kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°81.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°39.3kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

Iron ion (1+) + Benzene = (Iron ion (1+) • Benzene)

By formula: Fe+ + C6H6 = (Fe+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°197.kJ/molRAKGapeev and Dunbar, 2002RCD
ΔrH°207. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Iron ion (1+) • Benzene) + Benzene = (Iron ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°187. ± 16.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

NH4+ + Benzene = (NH4+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°80.8kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°97.5J/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

(NH4+ • Benzene) + Benzene = (NH4+ • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°71.1kJ/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°128.J/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

(NH4+ • 2Benzene) + Benzene = (NH4+ • 3Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°59.4kJ/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°138.J/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

Iodide + Benzene = (Iodide • Benzene)

By formula: I- + C6H6 = (I- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°26. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°38. ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°59.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°8. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

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

By formula: K+ + C6H6 = (K+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°73. ± 4.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°80.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°67.4 ± 7.1kJ/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°78.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°142.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

(Potassium ion (1+) • 2Benzene) + Benzene = (Potassium ion (1+) • 3Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°60.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°137.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

(Potassium ion (1+) • 3Benzene) + Benzene = (Potassium ion (1+) • 4Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°52.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°173.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

(Potassium ion (1+) • Benzene • Water) + Benzene = (Potassium ion (1+) • 2Benzene • Water)

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

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

(Potassium ion (1+) • Benzene • 2Water) + Benzene = (Potassium ion (1+) • 2Benzene • 2Water)

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

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

(Potassium ion (1+) • Water) + Benzene = (Potassium ion (1+) • Benzene • Water)

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

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

(Potassium ion (1+) • 2Water) + Benzene = (Potassium ion (1+) • Benzene • 2Water)

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

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

(Potassium ion (1+) • 3Water) + Benzene = (Potassium ion (1+) • Benzene • 3Water)

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

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

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

By formula: Li+ + C6H6 = (Li+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°161. ± 13.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°159.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
ΔrH°153.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°115.J/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrG°124.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°104. ± 7.1kJ/molCIDTAmicangelo and Armentrout, 2000RCD

Magnesium ion (1+) + Benzene = (Magnesium ion (1+) • Benzene)

By formula: Mg+ + C6H6 = (Mg+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°134. ± 9.6kJ/molCIDTAndersen, Muntean, et al., 2000RCD
ΔrH°155.kJ/molRAKGapeev and Dunbar, 2000RCD

Manganese ion (1+) + Benzene = (Manganese ion (1+) • Benzene)

By formula: Mn+ + C6H6 = (Mn+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°144.kJ/molMIDLin, Chen, et al., 1997RCD
ΔrH°133. ± 9.2kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Manganese ion (1+) • Benzene) + Benzene = (Manganese ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°203. ± 16.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Nitric oxide anion + Benzene = C6H6NO-

By formula: NO- + C6H6 = C6H6NO-

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

Nitric oxide anion + Benzene = (Nitric oxide anion • Benzene)

By formula: NO- + C6H6 = (NO- • C6H6)

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

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

By formula: Na+ + C6H6 = (Na+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°95.4 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°88.3 ± 5.0kJ/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°88.3 ± 4.6kJ/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°117.kJ/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°131.J/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
65.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

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

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

Quantity Value Units Method Reference Comment
ΔrH°81. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points

Nickel ion (1+) + Benzene = (Nickel ion (1+) • Benzene)

By formula: Ni+ + C6H6 = (Ni+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°243. ± 11.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Nickel ion (1+) • Benzene) + Benzene = (Nickel ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°147. ± 12.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Oxygen anion + Benzene = C6H6O2-

By formula: O2- + C6H6 = C6H6O2-

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

Lead ion (1+) + Benzene = (Lead ion (1+) • Benzene)

By formula: Pb+ + C6H6 = (Pb+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°110.kJ/molPHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°90.4J/mol*KPHPMSGuo, Purnell, et al., 1990gas phase; M

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

By formula: Rb+ + C6H6 = (Rb+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°69. ± 4.kJ/molCIDTAmicangelo and Armentrout, 2000RCD

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

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

Quantity Value Units Method Reference Comment
ΔrH°62.8 ± 7.9kJ/molCIDTAmicangelo and Armentrout, 2000RCD

Titanium ion (1+) + Benzene = (Titanium ion (1+) • Benzene)

By formula: Ti+ + C6H6 = (Ti+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°213.kJ/molRAKGapeev and Dunbar, 2002RCD
ΔrH°259. ± 9.2kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Titanium ion (1+) • Benzene) + Benzene = (Titanium ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°253. ± 18.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Vanadium ion (1+) + Benzene = (Vanadium ion (1+) • Benzene)

By formula: V+ + C6H6 = (V+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°>230.kJ/molRAKGapeev and Dunbar, 2002RCD
ΔrH°234. ± 10.kJ/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Vanadium ion (1+) • Benzene) + Benzene = (Vanadium ion (1+) • 2Benzene)

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

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

(V- • Benzene, fluoro-) + Benzene = (V- • Benzene • Benzene, fluoro-)

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

Quantity Value Units Method Reference Comment
ΔrH°10. ± 63.kJ/molN/AJudai, Hirano, et al., 1997gas phase; B

References

Go To: Top, Phase change data, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kruif, 1980
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Notes

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