Benzene

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas82.9 ± 0.9kJ/molReviewRoux, Temprado, et al., 2008There 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
Δfgas82.8kJ/molN/AGood and Smith, 1969Value computed using ΔfHliquid° value of 49.0±0.5 kj/mol from Good and Smith, 1969 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
Δfgas82.93 ± 0.50kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfgas79.9kJ/molN/ALandrieu, Baylocq, et al., 1929Value computed using ΔfHliquid° value of 46.0 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.2750.Thermodynamics Research Center, 1997GT
35.11100.
41.94150.
53.17200.
74.55273.15
82.44298.15
83.02300.
113.52400.
139.35500.
160.09600.
176.78700.
190.45800.
201.82900.
211.411000.
219.561100.
226.521200.
232.491300.
237.651400.
242.111500.
250.911750.
257.262000.
261.952250.
265.502500.
268.232750.
270.373000.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
93.32 ± 0.06333.15Todd S.S., 1978Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT
95.81341.60
97.99 ± 0.06348.15
103.98 ± 0.06368.15
105.02370.
104.77371.20
108.8 ± 1.3388.
110.88390.
110.5 ± 1.3393.
113.93402.30
114.29 ± 0.07403.15
115.48410.
117.6 ± 1.3417.
118.8 ± 1.3428.
123.39436.15
123.93 ± 0.07438.15
126.8 ± 1.3463.
132.42471.10
132.94 ± 0.08473.15
131.4 ± 1.3481.
139.47 ± 0.08500.15
145.59 ± 0.09527.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, 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:
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
Δfliquid49. ± 0.9kJ/molReviewRoux, Temprado, et al., 2008There 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
Δfliquid48.95 ± 0.54kJ/molCcbGood and Smith, 1969ALS
Δfliquid49.04 ± 0.50kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfliquid46.0kJ/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid-3267. ± 20.kJ/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
liquid173.26J/mol*KN/AOliver, Eaton, et al., 1948DH
liquid175.3J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity Value Units Method Reference Comment
solid,1 bar45.56J/mol*KN/AAhlberg, Blanchard, et al., 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
135.69298.15Grolier, Roux-Desgranges, et al., 1993DH
135.9298.5Czarnota, 1991p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
135.62298.15Lainez, Rodrigo, et al., 1989DH
134.63298.15Shiohama, Ogawa, et al., 1988DH
135.75298.15Grolier, Roux-Desgranges, et al., 1987DH
134.61293.15Kalali, Kohler, et al., 1987T = 293.15, 313.15 K.; DH
135.707298.15Tanaka, 1987DH
139.9322.05Naziev, Bashirov, et al., 1986T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
137.4303.15Reddy, 1986T = 303.15, 313.15 K.; DH
136.06298.15Ogawa and Murakami, 1985DH
135.718298.15Tanaka, 1985DH
136.24298.15Gorbunova, Simonov, et al., 1983T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH
136.5300.Gorbunova, Grigoriev, et al., 1982T = 280 to 353 K. Data also given by equation.; DH
135.7298.15Grolier, Inglese, et al., 1982T = 298.15 K.; DH
135.74298.15Tanaka, 1982Temperatures 293.15, 298.15, 303.15 K.; DH
135.60298.15Wilhelm, Faradjzadeh, et al., 1982DH
133.6293.15Atalla, El-Sharkawy, et al., 1981DH
135.90298.15Vesely, Zabransky, et al., 1979DH
135.61298.15Grolier, Wilhelm, et al., 1978DH
135.90298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
135.60298.15Wilhelm, Grolier, et al., 1977DH
135.76298.15Fortier, Benson, et al., 1976DH
135.760298.15Fortier and Benson, 1976DH
135.7298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
134.3298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
135.9298.15Hyder Khan and Subrahmanyam, 1971T = 298; 313 K.; DH
135.9298.Subrahmanyam and Khan, 1969DH
135.4298.Recko, 1968T = 24 to 40°C, equation only.; DH
130.298.Pacor, 1967DH
134.6293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
135.30300.Findenegg, Gruber, et al., 1965DH
134.98298.Rabinovich and Nikolaev, 1962T = 10 to 35°C.; DH
135.1316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
136.4303.Duff and Everett, 1956T = 303 to 353 K.; DH
135.23298.Staveley, Tupman, et al., 1955T = 288 to 347 K.; DH
31.8293.Sieg, Crtzen, et al., 1951DH
136.06298.15Oliver, Eaton, et al., 1948T = 13 to 337 K.; DH
119.295.Tschamler, 1948DH
133.5298.Kurbatov, 1947T = 9 to 80°C, mean Cp, five temperatures.; DH
136.0298.1Zhdanov, 1941T = 8 to 46°C.; DH
135.44298.2Burlew, 1940T = 281 to 353 K.; DH
131.4287.8Kolosovskii and Udovenko, 1934DH
131.4287.8de Kolossowsky and Udowenko, 1933DH
131.4298.15Ferguson and Miller, 1933T = 293 to 323 K. Data calculated from equation.; DH
135.1298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
143.57323.15Fiock, Ginnings, et al., 1931T = 50 to 110°C.; DH
135.1300.0Huffman, Parks, et al., 1930T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
132.2298.Andrews, Lynn, et al., 1926T = -18 to 110°C.; DH
133.1293.2Williams and Daniels, 1925T = 20 to 60°C.; DH
133.9303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
137.2298.Dejardin, 1919T = 24 to 50°C.; DH
133.5298.von Reis, 1881T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
47.8690.Ahlberg, Blanchard, et al., 1937T = 4 to 93 K.; DH
97.9223.9Aoyama and Kanda, 1935T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
118.4273.Maass and Walbauer, 1925T = 93 to 273 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, 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
Δvap33.9 ± 0.1kJ/molAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub44.4kJ/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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
B - 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

Chlorine anion + Benzene = (Chlorine anion • Benzene)

By formula: Cl- + C6H6 = (Cl- • C6H6)

Quantity Value Units Method Reference Comment
Δr25.1 ± 1.9kJ/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Δr39. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr41.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr36.kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr43.5kJ/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr71.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr71.5J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr92.J/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr16. ± 6.7kJ/molIMREChowdhury and Kebarle, 1986gas phase; B
Δr20. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr15.9kJ/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

C6H5- + Hydrogen cation = Benzene

By formula: C6H5- + H+ = C6H6

Quantity Value Units Method Reference Comment
Δr1678.7 ± 2.1kJ/molG+TSDavico, Bierbaum, et al., 1995gas 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
Δr1678.5 ± 0.88kJ/molD-EAGunion, Gilles, et al., 1992gas phase; B
Δr1677. ± 10.kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr1680. ± 42.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr1665. ± 23.kJ/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr1641.8 ± 1.7kJ/molIMREDavico, Bierbaum, et al., 1995gas 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
Δr1636. ± 8.4kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr1632. ± 27.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; B
Δr1628. ± 23.kJ/molIMRBBohme and Young, 1971gas 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
Δr60. ± 30.kJ/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Δr96.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

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

By formula: Li+ + C6H6 = (Li+ • C6H6)

Quantity Value Units Method Reference Comment
Δr161. ± 13.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr159.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δr153.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr115.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
Δr124.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

Bromine anion + Benzene = (Bromine anion • Benzene)

By formula: Br- + C6H6 = (Br- • C6H6)

Quantity Value Units Method Reference Comment
Δr38. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr71.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr71.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; B
Δr16. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr81. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points

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

By formula: Na+ + C6H6 = (Na+ • C6H6)

Quantity Value Units Method Reference Comment
Δr95.4 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr88.3 ± 5.0kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr88.3 ± 4.6kJ/molCIDTArmentrout and Rodgers, 2000RCD
Δr117.kJ/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr131.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

C9H13N+ + Benzene = (C9H13N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr46.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.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

C7H9N+ + Benzene = (C7H9N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr51.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr19.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
Δr41.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.2kJ/molPHPMSMeot-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
Δr30.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
Δr84.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

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

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

Quantity Value Units Method Reference Comment
Δr167. ± 14.kJ/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Δr116.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

C7H8+ + Benzene = (C7H8+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr51.0kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr51.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C2H7O+ + Benzene = (C2H7O+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.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

(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
Δr60.2kJ/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
Δr126.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr49.4kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr53.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

Iodide + Benzene = (Iodide • Benzene)

By formula: I- + C6H6 = (I- • C6H6)

Quantity Value Units Method Reference Comment
Δr26. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr38. ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr59.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr38.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr40.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr30.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
Δr51.0kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr123.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; 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
Δr29.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; 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
Δr53.6kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr141.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

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

By formula: Cr+ + C6H6 = (Cr+ • C6H6)

Quantity Value Units Method Reference Comment
Δr168.kJ/molMIDLin, Chen, et al., 1997RCD
Δr164. ± 14.kJ/molRAKLin and Dunbar, 1997RCD
Δr170. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr57.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr75.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr125.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; 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
Δr56.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr102.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
Δr52.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr115.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; 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
Δr70.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr113.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
Δr212. ± 38.kJ/molRAKLin and Dunbar, 1997RCD
Δr232. ± 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

Fluorine anion + Benzene = (Fluorine anion • Benzene)

By formula: F- + C6H6 = (F- • C6H6)

Quantity Value Units Method Reference Comment
Δr64.02kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr39.3kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

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

By formula: Mn+ + C6H6 = (Mn+ • C6H6)

Quantity Value Units Method Reference Comment
Δr144.kJ/molMIDLin, Chen, et al., 1997RCD
Δr133. ± 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

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

By formula: V+ + C6H6 = (V+ • C6H6)

Quantity Value Units Method Reference Comment
Δr>230.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr234. ± 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

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

By formula: Fe+ + C6H6 = (Fe+ • C6H6)

Quantity Value Units Method Reference Comment
Δr197.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr207. ± 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

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

By formula: Ti+ + C6H6 = (Ti+ • C6H6)

Quantity Value Units Method Reference Comment
Δr213.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr259. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr67.4 ± 7.1kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr78.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr142.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr92.kJ/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Δr210.J/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; 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
Δr33. ± 2.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr82.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

By formula: K+ + C6H6 = (K+ • C6H6)

Quantity Value Units Method Reference Comment
Δr73. ± 4.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr80.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KHPMSSunner, Nishizawa, et al., 1981gas 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
Δr49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr94.6J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas 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
Δr38.kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas 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
Δr58.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas 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
Δr44.4kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C6H6 = (NO- • C6H6)

Quantity Value Units Method Reference Comment
Δr172.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

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

Quantity Value Units Method Reference Comment
Δr187. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr253. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr203. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr147. ± 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

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

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

Quantity Value Units Method Reference Comment
Δr155. ± 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

(CAS Reg. No. 79431-04-2 • 4294967295Benzene) + 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
Δr90. ± 18.kJ/molTherLee and Squires, 1986gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale; B

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

By formula: Ni+ + C6H6 = (Ni+ • C6H6)

Quantity Value Units Method Reference Comment
Δr243. ± 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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Gas Chromatography, References, Notes

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

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

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

View reactions leading to C6H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.24378 ± 0.00007eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)750.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity725.4kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

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

Gas basicity at 298K

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

Ionization energy determinations

IE (eV) Method Reference Comment
9.24384 ± 0.00006TENemeth, Selzle, et al., 1993LL
9.24372 ± 0.00005TEChewter, Sander, et al., 1987LBLHLM
9.20EIStahl and Maquin, 1984LBLHLM
9.2459 ± 0.0002SGrubb, Whetten, et al., 1984LBLHLM
9.23 ± 0.03EIArimura and Yoshikawa, 1984LBLHLM
9.25PEKlasinc, Kovac, et al., 1983LBLHLM
9.23PECetinkaya, Lappert, et al., 1983LBLHLM
9.25PEKimura, Katsumata, et al., 1981LLK
9.240 ± 0.002LSDuncan, Dietz, et al., 1981LLK
9.44EIClare and Sowerby, 1981LLK
9.25PEBieri and Asbrink, 1980LLK
9.22PESell, Mintz, et al., 1978LLK
9.24PEMattsson, Karlsson, et al., 1977LLK
9.25 ± 0.02PEBieri, Burger, et al., 1977LLK
9.25 ± 0.07EISelim, 1976LLK
9.24PEBehan, Johnstone, et al., 1976LLK
9.70EIBaldwin, Loudon, et al., 1976LLK
9.25CTSPitt, 1973LLK
9.2 ± 0.1EITajima, Shimizu, et al., 1972LLK
9.26 ± 0.06EIFinney and Harrison, 1972LLK
9.27PEChizhov, Kleimenov, et al., 1972LLK
9.24 ± 0.01PISergeev, Akopyan, et al., 1970RDSH
9.25 ± 0.01PIDemeo and El-Sayed, 1970RDSH
9.36 ± 0.05EIBuchs, 1970RDSH
9.241 ± 0.001PEAsbrink, Lindholm, et al., 1970RDSH
9.241TEPeatman, Borne, et al., 1969RDSH
9.24 ± 0.01PEDewar and Worley, 1969RDSH
9.25 ± 0.01PIMomigny, Goffart, et al., 1968RDSH
9.20 ± 0.04EIBock, Seidl, et al., 1968RDSH
9.24PEBaker, May, et al., 1968RDSH
9.25PEBaker, Brundle, et al., 1968RDSH
9.25 ± 0.02PEClark and Frost, 1967RDSH
9.26 ± 0.02EINounou, 1966RDSH
9.246 ± 0.005PIBrehm, 1966RDSH
9.241 ± 0.006PINicholson, 1965RDSH
9.24 ± 0.01PIDibeler and Reese, 1964RDSH
9.25PEAl-Joboury and Turner, 1964RDSH
9.2PITerenin, 1961RDSH
9.248SEl-Sayed, Kaaba, et al., 1961RDSH
9.247 ± 0.002SWilkinson, 1956RDSH
9.25 ± 0.01PIWatanabe, 1954RDSH
9.8 ± 0.1EIHustrulid, Kusch, et al., 1938RDSH
9.242 ± 0.005SPrice and Wood, 1935RDSH
9.23PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
9.25PEKovac, Mohraz, et al., 1980Vertical value; LLK
9.25PEKaim, Tesmann, et al., 1980Vertical value; LLK
9.22PESell and Kupperman, 1978Vertical value; LLK
9.23PEKobayashi, 1978Vertical value; LLK
9.3PEKlasinc, Novak, et al., 1978Vertical value; LLK
9.24 ± 0.02PESchmidt, 1977Vertical value; LLK
9.25 ± 0.05PEGower, Kane-Maguire, et al., 1977Vertical value; LLK
9.24PEBock, Kaim, et al., 1977Vertical value; LLK
9.24PEClar and Schmidt, 1976Vertical value; LLK
9.23PEKobayashi and Nagakura, 1975Vertical value; LLK
9.24PEBischof, Dewar, et al., 1974Vertical value; LLK
9.24PESchafer and Schweig, 1972Vertical value; LLK
9.25 ± 0.03PEKlessinger, 1972Vertical value; LLK
9.24PEBock, Wagner, et al., 1972Vertical value; LLK
9.2PECarlson and Anderson, 1971Vertical value; LLK
9.24PEBock and Fuss, 1971Vertical value; LLK
9.24PEGleiter, Heilbronner, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+28.2 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
C2H2+19. ± 0.4?EILifshitz and Reuben, 1969RDSH
C2H2+18.6?EINatalis and Franklin, 1965RDSH
C2H2+32.6 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
C2H3+19. ± 0.4?EILifshitz and Reuben, 1969RDSH
C3H3+13.43?LSKuhlewind, Kiermeier, et al., 1986LBLHLM
C3H3+15.34 ± 0.06C3H3EISelim, 1976LLK
C3H3+16.90C3H3PEEland, Frey, et al., 1976LLK
C3H3+13.79C3H3PIRosenstock, Larkins, et al., 1973LLK
C3H3+14.7 ± 0.1?EILifshitz and Reuben, 1969RDSH
C4H2+17.5 ± 0.3?EILifshitz and Reuben, 1969RDSH
C4H3+18.48 ± 0.07H+C2H2EISelim, 1976LLK
C4H3+17.6 ± 0.1?EILifshitz and Reuben, 1969RDSH
C4H4+13.40C2H2LSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C4H4+13.9 ± 0.1C2H2EIRosenstock, McCulloh, et al., 1977LLK
C4H4+14.17 ± 0.08C2H2PIRosenstock, McCulloh, et al., 1977LLK
C4H4+14.85C2H2PEEland, Frey, et al., 1976LLK
C4H4+13.85C2H2PIRosenstock, Larkins, et al., 1973LLK
C4H4+14.1C2H2EIHickling and Jennings, 1970RDSH
C4H4+14.5 ± 0.2C2H2EILifshitz and Reuben, 1969RDSH
C5H3+15.7 ± 0.1CH3EILifshitz and Reuben, 1969RDSH
C6H+29. ± 2.?EILifshitz and Reuben, 1969RDSH
C6H4+12.93H2LSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C6H4+14.14 ± 0.08H2EISelim, 1976LLK
C6H4+12.94H2PIRosenstock, Larkins, et al., 1973LLK
C6H4+14.04 ± 0.06H2EIBentley, Johnstone, et al., 1973LLK
C6H4+14.09 ± 0.07H2EINatalis and Franklin, 1965RDSH
C6H5+13.12 ± 0.05HEVALKlippenstein, Faulk, et al., 1993T = 0K; LL
C6H5+12.90HLSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C6H5+13.7 ± 0.1HEIRosenstock, McCulloh, et al., 1977LLK
C6H5+13.78 ± 0.08HPIRosenstock, McCulloh, et al., 1977LLK
C6H5+14.56 ± 0.07HEISelim, 1976LLK
C6H5+12.94HPIRosenstock, Larkins, et al., 1973LLK
C6H5+13.97 ± 0.06HEIBentley, Johnstone, et al., 1973LLK
C6H5+14.1 ± 0.1HEIGross, 1972LLK
C6H5+13.80 ± 0.03HPISergeev, Akopyan, et al., 1970RDSH
C6H5+14.1 ± 0.1HEILifshitz and Reuben, 1969RDSH
C6H5+13.8 ± 0.1HPIBrehm, 1966RDSH
C6H71-43-24+14.2 ± 0.2H2EILifshitz and Reuben, 1969RDSH

De-protonation reactions

C6H5- + Hydrogen cation = Benzene

By formula: C6H5- + H+ = C6H6

Quantity Value Units Method Reference Comment
Δr1678.7 ± 2.1kJ/molG+TSDavico, Bierbaum, et al., 1995gas 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
Δr1678.5 ± 0.88kJ/molD-EAGunion, Gilles, et al., 1992gas phase; B
Δr1677. ± 10.kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr1680. ± 42.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr1665. ± 23.kJ/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr1641.8 ± 1.7kJ/molIMREDavico, Bierbaum, et al., 1995gas 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
Δr1636. ± 8.4kJ/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr1632. ± 27.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; B
Δr1628. ± 23.kJ/molIMRBBohme and Young, 1971gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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
Δr156. ± 7.1kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr167. ± 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
Δr167. ± 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
Δr147. ± 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
Δr293.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
Δr<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
Δr38. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr71.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr71.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr10. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; B
Δr16. ± 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
Δr78.7kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr105.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
Δr88.kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr100.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
Δr38.kJ/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr40.J/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr30.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
Δr100.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr145.J/mol*KPHPMSWojtyniak and Stone, 1986gas phase; M

C3H10N+ + Benzene = (C3H10N+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr66.5kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr116.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
Δr54.kJ/molHPMSField, Hamlet, et al., 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr96.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
Δr92.kJ/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Δr210.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
Δr58.6kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.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
Δr60. ± 30.kJ/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Δr96.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
Δr33. ± 2.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr82.8J/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
Δr29.kJ/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.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
Δr36.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
Δr35.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
Δr33.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
Δr33.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
Δr33.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
Δr33.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
Δr33.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
Δr35.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
Δr34.kJ/molPDissBeck and Hecht, 1991gas phase; M

C6H6NO- + 2Benzene = C12H12NO-

By formula: C6H6NO- + 2C6H6 = C12H12NO-

Quantity Value Units Method Reference Comment
Δr73.2 ± 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
Δr46.0kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr100.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
Δr49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr94.6J/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
Δr51.0kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr51.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.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
Δr51.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr19.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
Δr41.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.2kJ/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
Δr44.4kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.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
Δr46.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.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
Δr30.kJ/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
Δr84.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
Δr38.kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr100.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
Δr136. ± 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
Δr25.1 ± 1.9kJ/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Δr39. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr41.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr36.kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr43.5kJ/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr71.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr71.5J/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr92.J/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17. ± 11.kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr16. ± 6.7kJ/molIMREChowdhury and Kebarle, 1986gas phase; B
Δr20. ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Δr15.9kJ/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
Δr256. ± 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
Δr167. ± 14.kJ/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Δr116.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
Δr168.kJ/molMIDLin, Chen, et al., 1997RCD
Δr164. ± 14.kJ/molRAKLin and Dunbar, 1997RCD
Δr170. ± 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
Δr212. ± 38.kJ/molRAKLin and Dunbar, 1997RCD
Δr232. ± 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
Δr64.4 ± 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
Δr58.6 ± 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
Δr218. ± 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
Δr155. ± 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
Δr64.02kJ/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr39.3kJ/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
Δr197.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr207. ± 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
Δr187. ± 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
Δr80.8kJ/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr97.5J/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
Δr71.1kJ/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr128.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
Δr59.4kJ/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr138.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
Δr26. ± 8.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr38. ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr59.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr8. ± 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
Δr73. ± 4.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr80.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr103.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
Δr67.4 ± 7.1kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr78.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr142.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
Δr60.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr137.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
Δr52.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr173.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
Δr60.2kJ/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
Δr126.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
Δr53.6kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr141.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
Δr70.3kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr113.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
Δr56.1kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr102.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
Δr52.7kJ/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr115.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
Δr161. ± 13.kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr159.kJ/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δr153.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr115.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
Δr124.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
Δr104. ± 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
Δr134. ± 9.6kJ/molCIDTAndersen, Muntean, et al., 2000RCD
Δr155.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
Δr144.kJ/molMIDLin, Chen, et al., 1997RCD
Δr133. ± 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
Δr203. ± 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
Δr40. ± 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
Δr172.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
Δr95.4 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr88.3 ± 5.0kJ/molCIDTAmicangelo and Armentrout, 2000RCD
Δr88.3 ± 4.6kJ/molCIDTArmentrout and Rodgers, 2000RCD
Δr117.kJ/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr131.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
Δr81. ± 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
Δr243. ± 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
Δr147. ± 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
Δr59.0 ± 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
Δr110.kJ/molPHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr90.4J/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
Δr69. ± 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
Δr62.8 ± 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
Δr213.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr259. ± 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
Δr253. ± 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
Δr>230.kJ/molRAKGapeev and Dunbar, 2002RCD
Δr234. ± 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
Δr246. ± 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
Δr10. ± 63.kJ/molN/AJudai, Hirano, et al., 1997gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

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

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryRTX-5100.685.Ádámová, Orinák, et al., 200530. m/0.25 mm/0.25 μm, N2
CapillaryRTX-5120.694.74Ádámová, Orinák, et al., 200530. m/0.25 mm/0.25 μm, N2
CapillaryRTX-560.672.74Ádámová, Orinák, et al., 200530. m/0.25 mm/0.25 μm, N2
CapillaryRTX-580.674.03Ádámová, Orinák, et al., 200530. m/0.25 mm/0.25 μm, N2
CapillaryHP-10.651.1Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-110.648.9Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-120.657.6Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-130.650.2Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-140.646.8Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-150.645.Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
CapillaryHP-160.652.6Wang, Liu, et al., 200530. m/0.25 mm/0.25 μm
PackedSE-30160.638.Kurbatova, Finkelstein, et al., 2004Chromaton N-AW; Column length: 1. m
CapillaryHP-5100.678.8Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryHP-5120.683.3Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillarySqualane70.641.51Soják, 2004H2
CapillarySqualane70.641.45Soják, 2004N2
CapillarySqualane70.641.96Soják, 2004N2
CapillaryDB-1313.649.89Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1323.651.77Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1333.653.93Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1343.656.09Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1353.658.35Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1363.660.36Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1373.663.60Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1383.664.40Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1393.666.96Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1403.670.44Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1413.672.02Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-1423.674.86Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5313.666.03Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5323.667.42Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5333.669.56Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5343.671.74Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5353.673.50Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5363.675.70Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5373.677.75Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5383.680.27Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5393.681.27Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5403.683.59Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5413.685.29Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
CapillaryDB-5423.687.79Ciaznska-Halarewicz and Kowalska, 200330. m/0.32 mm/1. μm
PackedOV-1130.672.Gurevich and Roshchina, 2003He or N2, Gas-Chrom Q
CapillarySE-30160.684.6Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.682.5Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.676.Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 μm, N2
CapillaryHP-5140.686.4Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 μm, N2
CapillaryMethyl Silicone150.670.45Berezkin, Korolev, et al., 2002He; Column length: 15. m; Column diameter: 0.24 mm
CapillarySqualane50.636.6Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
CapillarySqualane60.639.1Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
CapillarySqualane70.641.7Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
CapillarySqualane80.644.5Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
CapillarySqualane90.646.6Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
CapillarySqualane100.650.0Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
CapillarySqualane110.652.5Wick, Siepmann, et al., 200230. m/0.25 mm/0.25 μm, He
PackedC78, Branched paraffin130.677.2Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillaryHP-10160.654.52Garay, 200050. m/0.2 mm/0.2 μm, H2
CapillaryOV-101110.662.Zhuravleva, 200050. m/0.3 mm/0.4 μm, He
CapillarySqualane200.675.Castello, Vezzani, et al., 1999 
CapillaryOV-1100.663.Zhu, Zhang, et al., 1999Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-1100.663.0Zhu, Zhang, et al., 1999Column length: 50. m; Column diameter: 0.25 mm
CapillaryDB-1140.668.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 μm, He
CapillaryDB-160.654.Dewulf, Van Langenhove, et al., 199730. m/0.53 mm/5.0 μm, He
CapillaryOV-1010.644.Skrbic, 1997 
CapillaryOV-101110.677.Terenina, Zhuravieva, et al., 199750. m/0.3 mm/0.4 μm, He
PackedOV-101100.663.2Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-101110.667.4Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-10180.654.7Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
PackedOV-10190.660.2Righezza, Hassani, et al., 1996N2, Chromosorb G HP; Column length: 5. m
CapillaryCP Sil 260.649.4Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryCP Sil 280.656.3Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillarySPB-160.643.Castello, Vezzani, et al., 199430. m/0.32 mm/0.25 μm, He
CapillaryOV-101150.678.1Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.688.0Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryDB-160.653.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 μm
CapillaryPONA60.654.2Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryPONA60.654.2Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryDB-160.654.4Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. μm
CapillaryOV-10160.653.5Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 μm
CapillaryCP Sil 5 CB20.647.2Do and Raulin, 199225. m/0.15 mm/2. μm, H2
PackedOV-101120.669.9Hassani and Meklati, 1992N2, Chromosorb G HP; Column length: 5. m
PackedSqualane100.649.Hongwei and Zhide, 1992H2, Silanized white support (80-100 mesh); Column length: 3. m
PackedSE-30120.666.Kowalski, 1992He, Gas Chrom Q (100-120 mesh); Column length: 0.25 m
PackedC78, Branched paraffin130.675.0Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillaryHP-160.655.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.655.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.664.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.664.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-1100.663.1Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1120.670.7Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-101100.663.Dimov and Mekenyan, 1989Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-145.651.3Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-165.655.4Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-145.651.4Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-165.655.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySqualane50.637.2Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySqualane70.641.8Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySE-5445.666.5Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySE-5465.667.4Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
PackedSqualane70.645.Safina, Poznyak, et al., 1989He, Risorb (0.2-0.3 mm); Column length: 2. m
CapillaryHP-160.654.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.655.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.649.Laub and Purnell, 1988 
CapillaryOV-10160.653.Laub and Purnell, 1988 
CapillaryOV-10180.658.Laub and Purnell, 1988 
CapillarySqualane50.637.Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.641.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySE-30110.662.Samusenko and Golovnya, 198825. m/0.32 mm/1. μm, He
CapillarySE-3080.661.Samusenko and Golovnya, 198825. m/0.32 mm/1. μm, He
CapillaryPoraPLOT Q200.630.de Zeeuw, de Nijs, et al., 1988H2; Column length: 25. m; Column diameter: 0.53 mm
CapillaryPoraPLOT Q200.650.de Zeeuw, de Nijs, et al., 1988H2; Column length: 25. m; Column diameter: 0.53 mm
CapillaryOV-101100.664.Engewald, Topalova, et al., 1987Column length: 50. m; Column diameter: 0.30 mm
PackedApolane150.687.Evans and Haken, 1987He, Chromosorb G AW DCMS; Column length: 3.7 m
PackedOV-101120.672.Fernández-Sánchez, Fernández-Torres, et al., 1987N2, Chromosorb W AW DMCS (80-100 mesh); Column length: 2. m
PackedSqualane80.646.Fernández-Sánchez, García-Domínguez, et al., 1987H2
PackedSqualane80.642.Kersten and Poole, 1987N2; Column length: 3.5 m
CapillarySqualane100.651.Nabivach and Vasiliev, 1987 
CapillaryOV-10140.652.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.654.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.656.0Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.658.3Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
PackedApolane150.687.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m
PackedSE-30180.681.Oszczapowicz, Osek, et al., 1985N2, Chromosorb A AW; Column length: 3. m
PackedSE-3042.655.Rudenko, Mal'tsev, et al., 1985Column length: 3. m
PackedSE-30180.681.Oszczapowicz, Osek, et al., 1984N2, Chromosorb W AW; Column length: 3. m
PackedSE-30120.668.Stolyarov and Kartsova, 1984N2; Column length: 200. m
PackedSE-30150.675.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedOV-1120.669.Valko, Papp, et al., 1984Gas Chrom Q; Column length: 2. m
CapillaryOV-101100.662.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.664.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.662.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101110.664.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
PackedApolane100.670.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane100.647.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane120.653.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane125.652.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
PackedSqualane200.675.Castello and D'Amato, 1983He, Chromosorb G; Column length: 3. m
CapillaryOV-10130.647.Chien, Furio, et al., 1983 
CapillaryOV-10140.649.Chien, Furio, et al., 1983 
CapillaryOV-10150.651.Chien, Furio, et al., 1983 
CapillaryOV-10160.653.Chien, Furio, et al., 1983 
CapillaryOV-10170.656.Chien, Furio, et al., 1983 
CapillaryOV-10180.658.Chien, Furio, et al., 1983 
CapillaryOV-330.671.1Chien, Furio, et al., 1983, 2 
CapillaryOV-340.673.0Chien, Furio, et al., 1983, 2 
CapillaryOV-350.675.1Chien, Furio, et al., 1983, 2 
CapillaryOV-360.677.2Chien, Furio, et al., 1983, 2 
CapillaryOV-370.679.5Chien, Furio, et al., 1983, 2 
CapillaryOV-380.681.9Chien, Furio, et al., 1983, 2 
CapillarySqualane106.650.Kugucheva and Mashinsky, 1983He; Column length: 100. m
CapillarySqualane96.647.Kugucheva and Mashinsky, 1983He; Column length: 100. m
CapillaryDB-160.653.8Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.654.4Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillarySE-3070.657.1Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
PackedApiezon L100.685.2Vernon and Suratman, 1983He; Column length: 2. m
PackedApiezon L100.685.6Vernon and Suratman, 1983He; Column length: 2. m
PackedApiezon L100.686.8Vernon and Suratman, 1983He; Column length: 2. m
PackedApiezon L100.687.4Vernon and Suratman, 1983He; Column length: 2. m
PackedSE-30100.664.Winskowski, 1983Gaschrom Q; Column length: 2. m
CapillaryOV-150.652.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillarySE-30130.670.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.659.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-101100.664.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101120.671.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101140.678.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
PackedApiezon L70.667.Jaworski, 1982Column length: 1.8 m
PackedApiezon L150.680.Jaworski, 1982Column length: 3. m
CapillaryOV-10150.654.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.651.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillaryOV-150.653.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 μm
CapillarySE-3050.650.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 μm
CapillarySqualane86.648.Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.650.22Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-130.648.4Chien, Kopecni, et al., 1981H2
CapillaryOV-140.650.5Chien, Kopecni, et al., 1981H2
CapillaryOV-150.652.6Chien, Kopecni, et al., 1981H2
CapillaryOV-160.654.9Chien, Kopecni, et al., 1981H2
CapillaryOV-170.657.2Chien, Kopecni, et al., 1981H2
CapillaryOV-180.659.7Chien, Kopecni, et al., 1981H2
CapillarySE-3030.645.7Chien, Kopecni, et al., 1981H2
CapillarySE-3040.648.Chien, Kopecni, et al., 1981H2
CapillarySE-3050.650.3Chien, Kopecni, et al., 1981H2
CapillarySE-3060.652.7Chien, Kopecni, et al., 1981H2
CapillarySE-3070.655.2Chien, Kopecni, et al., 1981H2
CapillarySE-3080.658.2Chien, Kopecni, et al., 1981H2
CapillaryOV-101100.663.6Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101120.670.7Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101140.677.8Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane50.638.Mitra, 1981N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.638.Mitra, 1981N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-160.646.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySE-3080.659.1Albaigés and Guardino, 1980He; Column length: 64. m; Column diameter: 0.25 mm
CapillarySqualane80.642.9Albaigés and Guardino, 1980He; Column length: 100. m; Column diameter: 0.25 mm
CapillaryApiezon L100.683.Morishita, Okano, et al., 1980Column length: 45. m; Column diameter: 0.25 mm
PackedSqualane100.650.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane50.637.4Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.642.2Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.637.2Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.642.5Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
PackedTriacontane80.651.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.652.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane100.648.Gröbler and Bálizs, 1979Column length: 1. m
CapillarySqualane86.647.8Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.648.0Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.648.7Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.649.0Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane70.642.5Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane70.642.9Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane70.641.1Drozd, Novák, et al., 1978Column length: 10. m; Column diameter: 0.25 mm
CapillarySqualane70.641.4Drozd, Novák, et al., 1978Column length: 10. m; Column diameter: 0.25 mm
CapillarySqualane86.648.Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.650.2Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane50.636.8Welsch, Engewald, et al., 1978Column length: 80. m; Column diameter: 0.23 mm
CapillaryApiezon M120.684.Golovnya and Misharina, 1977 
CapillarySqualane100.650.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane100.645.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.646.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
PackedApolane70.659.2Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane60.639.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane60.642.Ryba, 1976Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane80.644.42Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3040.648.Vylegzhanina and Keiser, 1976Chromaton N-AW-GMDS; Column length: 1. m
PackedSE-3060.647.Vylegzhanina and Keiser, 1976Chromaton N-AW-GMDS; Column length: 1. m
PackedSqualane100.650.Vernon and Edwards, 1975N2, DCMS-treated Celite; Column length: 1. m
PackedSE-30150.674.Ashes and Haken, 1974Celaton (62-72 mesh); Column length: 3.7 m
CapillarySqualane42.5636.Engewald, Epsch, et al., 1974N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane70.644.Engewald, Epsch, et al., 1974N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane50.637.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.642.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySE-3065.654.8Svob, Deur-Siftar, et al., 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySE-3065.654.8Svob, Deur-Siftar, et al., 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySE-3065.654.8Svob, Deur-Siftar, et al., 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySE-3065.654.7Svob, Deur-Siftar, et al., 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySE-3065.654.7Svob, Deur-Siftar, et al., 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySE-3065.654.8Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane100.650.4Svob and Deur-Siftar, 1974He; Column length: 10.5 m; Column diameter: 0.25 mm
CapillarySqualane50.638.Gäumann and Bonzo, 1973Column length: 100. m
CapillaryOV-10150.652.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10150.654.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.654.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.656.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillarySqualane100.660.7Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane120.649.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane86.644.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillaryVacuum Grease Oil (VM-4)35.652.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.655.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.657.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.660.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.662.Sidorov, Petrova, et al., 1972 
PackedSqualane50.640.0Takács, Tálas, et al., 1972N2, Chromosorb W; Column length: 3. m
CapillarySqualane70.639.7Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.656.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.648.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedSqualane50.637.Vernon, 1971N2
PackedApiezon L100.685.Wagaman and Smith, 1971CH4; Column length: 3. m
CapillarySqualane80.648.5Wallaert, 1971Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane115.653.6Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
CapillarySqualane86.646.6Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
PackedApiezon L100.681.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedSqualane27.634.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.640.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.645.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.649.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedApiezon L100.680.Bonastre and Grenier, 1967Chromosorb P; Column length: 10. m
PackedApiezon L120.686.Bonastre and Grenier, 1967Chromosorb P; Column length: 10. m
PackedApiezon L140.694.Bonastre and Grenier, 1967Chromosorb P; Column length: 10. m
PackedApiezon L80.681.Bonastre and Grenier, 1967Chromosorb P; Column length: 10. m
PackedSqualane100.650.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedSqualane120.655.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedSqualane140.660.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedSqualane80.645.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedSqualane22.631.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.632.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.634.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.643.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.645.Evans, 1966Untreated celite; Column length: 1.8 m
PackedApiezon L130.691.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5662.Buchin, Salmon, et al., 200260. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillarySE-54650.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101642.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L665.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-1647.SGE, 2005Program: not specified
CapillaryBP-5667.SGE, 2005Program: not specified
CapillaryBPX-5664.SGE, 2005Program: not specified
CapillaryHP-1629.Wongpornchai, Sriseadka, et al., 200330. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 100C => 5C/min => 230C(2min)
CapillaryPetrocol DH-100649.7Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1649.Hoekman, 199360. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min
PackedApiezon M681.3Jalali-Heravi and Garkani-Nejad, 1993Chromosorb W; Column length: 2. m; Program: not specified
CapillarySPB-1661.6Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified
CapillarySqualane652.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified
PackedSE-30650.Moffat, Stead, et al., 1974Chromosrb G; Column length: 2. m; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M160.979.Kurbatova, Finkelstein, et al., 2004Chromaton N-AW; Column length: 1. m
CapillaryZB-Wax100.979.4Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax120.988.6Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax140.999.5Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryDB-Wax40.947.77Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax50.953.66Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax60.963.67Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax70.971.57Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax80.980.53Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax90.989.54Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax100.998.62Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-Wax110.1007.64Ciaznska-Halarewicz and Kowalska, 2003Column length: 30. m; Column diameter: 0.32 mm
CapillaryCarbowax 20M150.970.Egazaryants and Maximov, 1998He; Column length: 15. m; Column diameter: 0.5 mm
CapillaryCarbowax 20M150.971.Egazaryants and Maximov, 1998He; Column length: 15. m; Column diameter: 0.5 mm
CapillaryPEG-40M150.925.Terenina, Zhuravieva, et al., 199750. m/0.3 mm/0.4 μm, He
CapillarySupelcowax-1060.955.5Castello, Vezzani, et al., 199430. m/0.32 mm/0.25 μm, He
CapillaryPEG-20M80.945.2Orav, Kuningas, et al., 199450. m/0.2 mm/0.13 μm, He
CapillaryPEG-20M80.958.2Orav, Kuningas, et al., 199450. m/0.2 mm/0.19 μm, He
CapillaryPEG-20M80.959.5Orav, Kuningas, et al., 199450. m/0.2 mm/0.22 μm, He
CapillarySupelcowax-1060.964.Castello, Vezzani, et al., 1991N2; Column length: 60. m; Column diameter: 0.75 mm
PackedCarbowax 20M120.992.Fernández-Sánchez, Fernández-Torres, et al., 1987N2, Chromosorb W AW DMCS; Column length: 2. m
PackedCarbowax 20M80.952.Kersten and Poole, 1987N2, Chromosorb W-AW; Column length: 3.5 m
PackedCarbowax 20M150.971.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm
CapillaryCarbowax 20M100.968.66Podmaniczky, Szepesy, et al., 1985 
CapillaryCarbowax 20M110.972.80Podmaniczky, Szepesy, et al., 1985 
CapillaryCarbowax 20M120.976.91Podmaniczky, Szepesy, et al., 1985 
CapillaryCarbowax 20M70.957.21Podmaniczky, Szepesy, et al., 1985 
CapillaryCarbowax 20M80.960.69Podmaniczky, Szepesy, et al., 1985 
CapillaryCarbowax 20M90.964.88Podmaniczky, Szepesy, et al., 1985 
PackedPEG-20M120.979.Stolyarov and Kartsova, 1984N2, Chromaton N AW HMDS; Column length: 2. m
CapillaryPEG-20M70.954.5Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
PackedCarbowax 20M100.965.7Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.973.3Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.979.3Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.982.6Vernon and Suratman, 1983He; Column length: 2. m
PackedCarbowax 20M100.969.7Vernon and Suratman, 1983, 2He, A silanized white support; Column length: 2. m
PackedCarbowax 20M110.974.2Vernon and Suratman, 1983, 2He, A silanized white support; Column length: 2. m
PackedCarbowax 20M120.978.8Vernon and Suratman, 1983, 2He, A silanized white support; Column length: 2. m
PackedCarbowax 20M130.983.4Vernon and Suratman, 1983, 2He, A silanized white support; Column length: 2. m
PackedCarbowax 20M150.992.6Vernon and Suratman, 1983, 2He, A silanized white support; Column length: 2. m
PackedCarbowax 20M75.959.Goebel, 1982N2, Kieselgur (60-100 mesh); Column length: 2. m
CapillaryPEG-20M100.955.Morishita, Okano, et al., 1980Column length: 75. m; Column diameter: 0.25 mm
PackedCarbowax 20M150.967.0Ellis and Still, 1979Chromosorb W, AW-DMCS
PackedCarbowax 20M115.972.6Ellis and Still, 1979Chromosorb G
PackedCarbowax 20M115.973.4Ellis and Still, 1979Chromosorb G
PackedCarbowax 20M165.985.7Ellis and Still, 1979, 2Chromosorb W, AW-DMCS
CapillaryCarbowax 20M100.947.2Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 20M90.933.4Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm
PackedPEG-2000150.987.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.978.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.1005.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.991.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.1000.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-20M150.970.Tibor and Anna, 1971N2, Chromosorb W-AW; Column length: 2. m
PackedPEG-20M170.985.Tibor and Anna, 1971N2, Chromosorb W-AW; Column length: 2. m
PackedPolyethylene Glycol 4000100.974.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.981.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.987.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.967.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax924.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-20947.SGE, 2005Program: not specified
CapillaryPEG-20M953.Slizhov and Gavrilenko, 2001He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
CapillarySupelcowax-10967.7Castello, Timossi, et al., 1988N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-5663.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryCP-Sil 8CB-MS654.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryHP-5662.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryCP-Sil 8CB-MS663.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryPetrocol DH647.5Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryHP-5648.Isidorov, Vinogorova, et al., 200325. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C
CapillarySPB-1638.32LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1638.98LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5654.8Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5653.8Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-5654.2Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5654.8Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5656.1Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5660.6Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5648.Dallüge, van Stee, et al., 200230. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101645.0Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryCP Sil 8 CB658.Yassaa, Meklati, et al., 199925. m/0.2 mm/0.25 μm, 40. C @ 8. min, 2. K/min; Tend: 200. C
CapillaryDB-1639.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 30. C; Tend: 225. C
CapillaryDB-5664.Madruga and Mottram, 199830. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillarySE-54654.1Kivi-Etelätalo, Kostiainen, et al., 199750. m/0.32 mm/1. μm, He, 40. C @ 2. min, 10. K/min, 220. C @ 5. min
CapillaryPONA638.6Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA640.7Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryDB-1645.DeMilo, Lee, et al., 199630. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C
CapillaryDB-1645.DeMilo, Lee, et al., 199630. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C
CapillaryDB-1646.DeMilo, Lee, et al., 199630. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 250. C
CapillaryOV-1643.1Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-1640.5Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-5660.1Helmig, Pollock, et al., 199660. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-5654.2Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5654.8Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5656.1Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5654.8Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5653.8Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryPetrocol DH641.77Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH641.83Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-1630.Yu, Lin, et al., 199460. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryUltra-1644.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryDB-1654.Peng, Hua, et al., 199230. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; Tend: 280. C
CapillaryPetrocol DH641.72White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH642.White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH642.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-5654.Morinaga, Hara, et al., 199015. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C
CapillaryHP-1651.4Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1648.9Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1648.Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryUltra-1640.61Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1643.07Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1644.46Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2655.57Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2658.13Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2659.63Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
PackedSE-30654.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
CapillaryOV-1645.26Knoppel, de Bortoli, et al., 198335. C @ 5. min; Column length: 50. m; Column diameter: 0.2 mm; Tend: 280. C
CapillaryOV-1642.7Knoppel, de Bortoli, et al., 198335. C @ 5. min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 280. C
CapillaryOV-1646.Knoppel, de Bortoli, et al., 198224. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; Tend: 250. C
CapillaryOV-1647.11Knoppel, de Bortoli, et al., 198230. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; Tend: 250. C
CapillaryOV-101642.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C
PackedOV-101650.Nixon, Wong, et al., 1979Gas-Chrom Q, 2. K/min; Column length: 2.5 m; Tstart: 50. C; Tend: 220. C
CapillaryOV-1648.Schreyen, Dirinck, et al., 19761. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB659.Duckham, Dodson, et al., 200160. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
CapillaryDB-1630.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
CapillaryMethyl Silicone640.20Hassoun, Pilling, et al., 199950. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
PackedSE-30654.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)
PackedSE-30654.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB936.Alasalvar, Taylor, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C
CapillarySupelcowax-10940.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCarbowax954.Censullo, Jones, et al., 200360. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillaryCP-Wax 52CB942.Liu, Yang, et al., 2001H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C
CapillaryDB-Wax943.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryHP-Wax947.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryFFAP939.Ott, Fay, et al., 199730. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillaryDB-Wax938.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax940.Sumitani, Suekane, et al., 1994He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryDB-Wax947.Peng, Hua, et al., 199230. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min
CapillarySupelcowax-10938.Matiella and Hsieh, 199060. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillaryCP-WAX 57CB926.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C
PackedCarbowax 20M965.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10936.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10938.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min)
CapillarySupelcowax-10938.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10938.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryCP-Wax 52CB930.Madruga and Mottram, 199850. m/0.32 mm/0.21 μm; Program: 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.663.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.657.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.660.Tello, Lebron-Aguilar, et al., 2009 
PackedPolydimethyl siloxane120.667.Tello, Lebron-Aguilar, et al., 2009 
PackedPolydimethyl siloxane120.668.Tello, Lebron-Aguilar, et al., 2009 
PackedPolydimethyl siloxane120.668.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.662.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.668.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.672.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.658.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.668.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.668.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.668.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.678.Chen and Feng, 2006 
CapillaryOV-10140.654.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryOV-101100.663.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.664.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.670.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.670.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101102.656.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-101106.657.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-101110.658.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-101114.659.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-10194.654.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-10198.655.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryOV-10198.655.Wang, Deng, et al., 1992Column length: 23. m; Column diameter: 0.50 mm
CapillaryMethyl Silicone50.638.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.651.Wu and Lu, 1984 
CapillaryOV-10170.655.Wu and Lu, 1984 
CapillaryE-301100.670.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.652.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane95.4638.Sojak and Vigdergauz, 1978H2
CapillarySqualane110.650.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
PackedApiezon L100.682.Kavan, 1973Column length: 3.2 m
CapillarySqualane86.635.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
PackedDC-400150.658.Anderson, 1968Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
PackedSqualane125.655.Cremer and Nonn, 1964H2, Chromosorb W (80-100 mesh); Column length: 3. m
PackedPolydimethyl siloxane110.654.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedSE-30660.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryPolydimethyl siloxane: CP-Sil 5 CB648.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS653.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryPetrocol DH643.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryUltra-ALLOY-5653.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryZB-5657.Harrison and Priest, 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
CapillaryPONA637.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillarySPB-5661.Vasta, Ratel, et al., 200760. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryOV-101657.Zenkevich, Eliseenkov, et al., 2006Nitrogen, 6. K/min, 240. C @ 10. min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 60. C
CapillarySPB-5646.Pino, Marbot, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryOV-101656.Zenkevich, Makarov, et al., 200525. m/0.25 mm/0.20 μm, Nitrogen, 60. C @ 0. min, 8. K/min, 240. C @ 0. min
CapillaryHP-5653.Isidorov and Jdanova, 20023. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C
CapillarySPB-5661.Poligné, Collignan, et al., 200160. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C
CapillaryBP-1652.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5MS645.3Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C
CapillaryMethyl Silicone638.83Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryHP-5667.Jung, Wichmann, et al., 199925. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; Tend: 180. C
CapillaryOV-101649.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryDB-1648.Barrefors, Björkqvist, et al., 199650. m/0.32 mm/1. μm, 3. K/min; Tstart: -30. C
CapillarySE-54661.Huang, Liang, et al., 199636. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C
CapillaryHP-5671.3Wang and Fingas, 199530. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryDB-1649.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryOV-1638.Guan, Zheng, et al., 199250. m/0.32 mm/0.52 μm, H2, 1. K/min; Tstart: 30. C
CapillaryOV-1640.Guan, Zheng, et al., 199250. m/0.32 mm/0.52 μm, H2, 2. K/min; Tstart: 35. C
CapillaryCP Sil 5 CB640.Hartgers, Damste, et al., 199225. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
CapillaryOV-101653.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillaryDB-1644.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryDB-1647.Binder, Turner, et al., 19904. K/min, 230. C @ 10. min; Tstart: 50. C
CapillaryHP-5640.Spadone, Takeoka, et al., 1990H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; Tstart: 80. C; Tend: 250. C
CapillaryDB-1642.Binder, Flath, et al., 19894. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryDB-1643.Binder and Flath, 198950. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1640.5Durand, Boscher, et al., 198750. m/0.2 mm/0.52 μm, He, 35. C @ 10. min, 1.1 K/min; Tend: 150. C
CapillaryDB-1644.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101641.del Rosario, de Lumen, et al., 1984He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C
CapillarySE-30642.Heydanek and McGorrin, 198140. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C
CapillarySE-30641.Heydanek and McGorrin, 1981, 2He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C
PackedApiezon L663.Dahlmann, Köser, et al., 1979Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C
CapillaryOV-1648.Schreyen, Dirinck, et al., 1979N2, 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C
CapillarySF-96652.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS657.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-5642.Yusuf and Bewaji, 2011Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-5642.Yusuf and Bewaji, 2011, 2Helium; Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryNonpolar655.Staples and Zeiger, 2008Program: not specified
CapillaryDB-5 MS661.Liu, Xu, et al., 200760. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryOV-101670.Ebrahimi and Hadjmohammadi, 2006Program: not specified
CapillaryMethyl Silicone651.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryApiezon L686.Finkelstein, Kurbatova, et al., 2002Program: not specified
CapillaryMethyl phenyl siloxane (not specified)662.Poligne, Collignan, et al., 2002Program: not specified
CapillaryBP-1639.25Cooke, Hassoun, et al., 200150. m/0.25 mm/1. μm, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
CapillaryCP Sil 8 CB663.Duckham, Dodson, et al., 200160. m/0.25 mm/0.25 μm; Program: not specified
CapillaryDB-5 MS671.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryOV-101664.Zhu and Wang, 2001Program: not specified
CapillaryDB-1654.Zhu and Wang, 2001Program: not specified
CapillaryMethyl Silicone649.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone657.Zenkevich, 1998Program: not specified
CapillarySPB-1655.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-1654.Peng, 199630. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
CapillarySE-30657.Xiuhua, Zhang, et al., 1996Program: not specified
CapillarySE-30664.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryMethyl Silicone657.Zenkevich, 1996Program: not specified
CapillaryDB-5674.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified
CapillaryMethyl Silicone643.Xu, Chu, et al., 1995Program: not specified
CapillaryDB-1640.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1651.Schuberth, 199430. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
CapillaryDB-1640.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySE-30658.Lou, Liu, et al., 1993Column diameter: 0.25 mm; Program: not specified
CapillarySPB-1665.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1660.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryOV-1648.6Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C
CapillaryOV-1658.Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-1663.5Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-1664.6Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C
CapillaryDB-1644.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-1644.Binder and Flath, 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillarySqualane650.4Dimov and Mekenyan, 1989Program: not specified
CapillaryCP Sil 8 CB663.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryDB-1634.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryDB-1644.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillarySE-30665.P'yanova, Zvereva, et al., 1987Column length: 25. m; Column diameter: 0.25 mm; Program: not specified
CapillarySE-52666.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillaryOV-1669.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.653.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.673.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1660.Ramsey and Flanagan, 1982Program: not specified
CapillarySE-30644.Heydanek and McGorrin, 1981, 2He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)
PackedSE-30665.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane645.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30665.Robinson and Odell, 1971, 2Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
PackedSqualane645.Robinson and Odell, 1971, 2Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M100.975.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M120.982.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M140.994.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M60.956.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryCarbowax 20M80.965.Sun, Siepmann, et al., 200630. m/0.25 mm/0.25 μm, Helium
CapillaryPEG-40M100.959.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M100.960.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M120.965.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M60.947.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M80.952.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryCarbowax 20M90.933.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax957.Shimadzu, 201230. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-Wax937.Ganeko, Shoda, et al., 20084. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax955.Chida, Sone, et al., 200460. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
CapillaryDB-Wax957.Shimadzu Corporation, 200330. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C
CapillaryCarbowax 20M983.Kasali, Winterhalter, et al., 200230. m/0.25 mm/0.325 μm, He, 4. K/min, 215. C @ 20. min; Tstart: 50. C
CapillaryDB-Wax934.Duque, Bonilla, et al., 200130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C
CapillaryDB-Wax932.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax938.Umano, Hagi, et al., 1995He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillaryCarbowax 20M930.Herain, MRAVEC, et al., 199170. C @ 21. min, 5. K/min, 150. C @ 999. min
CapillaryDB-Wax937.Binder, Benson, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryDB-Wax937.Binder, Turner, et al., 19904. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C
CapillaryDB-Wax938.Binder, Flath, et al., 198950. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryDB-Wax937.Binder and Flath, 198950. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySOLGel-Wax938.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
CapillarySOLGel-Wax936.Johanningsmeier and McFeeters, 201130. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillarySupelko CO Wax951.Vekiari, Orepoulou, et al., 201060. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
CapillarySupelcowax-10936.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-10938.Berard, Bianchi, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
CapillaryHP-Innowax924.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
CapillaryCarbowax 20M979.Finkelstein, Kurbatova, et al., 2002Program: not specified
CapillaryDB-Wax947.Peng, 199630. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
CapillaryPEG-20M954.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryDB-Wax947.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax950.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax937.Binder, Flath, et al., 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-Wax937.Binder and Flath, 1989Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M935.Dimov and Mekenyan, 1989Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.959.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.965.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 20M948.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, Notes

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

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

Thermodynamics Research Center, 1997
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Todd S.S., 1978
Todd S.S., Vapor-flow calorimetry of benzene, J. Chem. Thermodyn., 1978, 10, 641-648. [all data]

Montgomery J.B., 1942
Montgomery J.B., The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene, J. Am. Chem. Soc., 1942, 64, 2375-2377. [all data]

Pitzer K.S., 1943
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Oliver, G.D.; Eaton, M.; Huffman, H.M., The heat capacity, heat of fusion and entropy of benzene, J. Am. Chem. Soc., 1948, 70, 1502-1505. [all data]

Huffman, Parks, et al., 1930
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Czarnota, I., Heat capacity of benzene at high pressures, J. Chem. Thermodynam., 1991, 23, 25-30. [all data]

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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]

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Kalali, Kohler, et al., 1987
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Tanaka, 1987
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Reddy, 1986
Reddy, K.S., Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K, J. Chem. Eng. Data, 1986, 31, 238-240. [all data]

Ogawa and Murakami, 1985
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Tanaka, 1985
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
Gorbunova, N.I.; Simonov, V.M.; Shipova, V.A., Thermodynamic properties of benzene, Teplofiz. Vys. Temp., 1983, 21(2), 270-275. [all data]

Gorbunova, Grigoriev, et al., 1982
Gorbunova, N.I.; Grigoriev, V.A.; Simonov, V.M.; Shipova, V.A., Heat capacity of liquid benzene and hexafluorobenzene at atmospheric pressure, Int. J. Thermophysics, 1982, 3, 1-15. [all data]

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
Wilhelm, E.; Grolier, J.-P.E.; Karbalai Ghassemi, M.H., Molar heat capacities of binary liquid mixtures: 1,2-dichloroethane + benzene, + toluene, and + p-xylene, Ber. Bunsenges. Phys. Chem., 1977, 81, 925-930. [all data]

Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P., Heat capacities of some organic liquids determined with the Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 289-299. [all data]

Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 411-423. [all data]

Rajagopal and Subrahmanyam, 1974
Rajagopal, E.; Subrahmanyam, S.V., Excess function of VE,(dVE/dp)T, and CpE of isooctane + benzene and + toluene, J. Chem. Thermodynam., 1974, 6, 873-876. [all data]

Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G., Heat capacities at constant volume, free volumes, and rotational freedom in some liquids, Aust. J. Chem., 1971, 24, 1817-1822. [all data]

Hyder Khan and Subrahmanyam, 1971
Hyder Khan, V.; Subrahmanyam, S.V., Excess thermodynamic functions of the systems: benzene + p-xylene and benzene + p-dioxan, Trans. Faraday Soc., 1971, 67, 2282-2291. [all data]

Subrahmanyam and Khan, 1969
Subrahmanyam, S.V.; Khan, V.H., Thermodynamics of the system benzene - p-dioxane, Curr. Sci., 1969, 38, 510-511. [all data]

Recko, 1968
Recko, W.M., Excess heat capacity of the binary systems formed by n-propyl alcohol with benzene, mesitylene and cyclohexane, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1968, 16, 549-552. [all data]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Findenegg, Gruber, et al., 1965
Findenegg, G.H.; Gruber, K.; Pereira, J.F.; Kohler, F., Kalorimetrische Messungen an Mischungen von Nichtelektrolyten, 1. Mitt.: Molwarme des Systems 1,2-Dibromathan-Benzol, Monatsh. Chem., 1965, 96, 669-678. [all data]

Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N., Isotopic effect in the specific heat of some deutero compounds, Dokl. Akad. Nauk, 1962, SSSR 142, 1335-1338. [all data]

Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat in homologous series of binary and ternary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]

Duff and Everett, 1956
Duff, G.M.; Everett, D.H., The heat capacity of the system benzene + diphenylmethane, Trans. Faraday Soc., 1956, 52, 753-763. [all data]

Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R., Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide, Trans. Faraday Soc., 1955, 51, 323-342. [all data]

Sieg, Crtzen, et al., 1951
Sieg, L.; Crtzen, J.L.; Jost, W., Zur Thermodynamik von Mischphasen IX. Über das Verdampfungsgleichgewicht Benzol-1-2-Dichloraethan, Z. Phys. Chem., 1951, 198, 263-269. [all data]

Tschamler, 1948
Tschamler, H., Uber binare flussige Mischungen I. Mischungswarment, Volumseffekte und Zustandsdiagramme von chlorex mit benzol und n-alkylbenzolen, Monatsh. Chem., 1948, 79, 162-177. [all data]

Kurbatov, 1947
Kurbatov, V.Ya., Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons, Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]

Zhdanov, 1941
Zhdanov, A.K., Specific heats of some liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]

Burlew, 1940
Burlew, J.S., Measurement of the heat capacity of a small volume of liquid by the piezo-thermometric method. III. Heat capacity of benzene and of toluene from 8°C. to the boiling point, J. Am. Chem. Soc., 1940, 62, 696-700. [all data]

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de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W., Mesure des chaleurs specifique moleculaires de quelques liquides, Compt. rend., 1933, 197, 519-520. [all data]

Ferguson and Miller, 1933
Ferguson, A.; Miller, J.T., A method for the determination of the specific heats of liquids, and a determination of the specific heats of aniline and benzene over the approximate range 20°C to 50°C, Proc. Phys. Soc. London, 1933, 45, 194-207. [all data]

Richards and Wallace, 1932
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Fiock, Ginnings, et al., 1931
Fiock, E.F.; Ginnings, D.C.; Holton, W.B., Calorimetric determinations of thermal properties of methyl alcohol, ethyl alcohol, and benzene, J. Res., 1931, NBS 6, 881-900. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Williams and Daniels, 1925
Williams, J.W.; Daniels, F., The specific heats of binary mixtures, J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]

Willams and Daniels, 1924
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Dejardin, 1919
Dejardin, G., Pressions maxima des vapeurs du benzene et du cyclohexane aux temperatures moyennes et calcul de leurs chaleurs specifiques principales, Ann. phys. [9], 1919, 11, 253-291. [all data]

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Aoyama and Kanda, 1935
Aoyama, S.; Kanda, E., Studies on the heat capacities at low temperature. Report I. Heat capacities of some organic substances at low temperature, Sci. Rept. Tohoku Imp. Univ. [1]24, 1935, 107-115. [all data]

Maass and Walbauer, 1925
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Kruif, 1980
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Majer and Svoboda, 1985
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Liu, Kewen; Dickhut, Rebecca M., Saturation vapor pressures and thermodynamic properties of benzene and selected chlorinated benzenes at environmental temperatures, Chemosphere, 1994, 29, 3, 581-589, https://doi.org/10.1016/0045-6535(94)90445-6 . [all data]

Ambrose, Ewing, et al., 1990
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Dong, Lin, et al., 1988
Dong, Jin-Quan; Lin, Rui-Sen; Yen, Wen-Hsing, Heats of vaporization and gaseous molar heat capacities of ethanol and the binary mixture of ethanol and benzene, Can. J. Chem., 1988, 66, 4, 783-790, https://doi.org/10.1139/v88-136 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Natarajan, 1983
Natarajan, G., High-temperature calorimeter for the measurement of vapor pressure and enthalpy of vaporization, Rev. Sci. Instrum., 1983, 54, 9, 1175, https://doi.org/10.1063/1.1137545 . [all data]

Tsonopoulos and Wilson, 1983
Tsonopoulos, Constantine; Wilson, G.M., High-temperature mutual solubilities of hydrocarbons and water. Part I: Benzene, cyclohexane andn-hexane, AIChE J., 1983, 29, 6, 990-999, https://doi.org/10.1002/aic.690290618 . [all data]

Rao and Viswanath, 1977
Rao, Yaddanapudi J.; Viswanath, Dabir S., Integral isobaric heats of vaporization of benzene-chloroethane systems, J. Chem. Eng. Data, 1977, 22, 1, 36-38, https://doi.org/10.1021/je60072a011 . [all data]

Svoboda, Veselý, et al., 1973
Svoboda, V.; Veselý, F.; Holub, R.; Pick, J., Enthalpy data of liquids. II. The dependence of heats of vaporization of methanol, propanol, butanol, cyclohexane, cyclohexene, and benzene on temperature, Collect. Czech. Chem. Commun., 1973, 38, 12, 3539-3543, https://doi.org/10.1135/cccc19733539 . [all data]

Mita, Imai, et al., 1971
Mita, Itaru; Imai, Isao; Kambe, Hirotaro, Determination of heat of mixing and heat of vaporization with a differential scanning calorimeter, Thermochimica Acta, 1971, 2, 4, 337-344, https://doi.org/10.1016/0040-6031(71)85035-9 . [all data]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Yarym-Agaev, Fedos'ev, et al., 1949
Yarym-Agaev, N.L.; Fedos'ev, N.N.; Skorikov, K.G., Zh. Fiz. Khim., 1949, 11, 1257. [all data]

Thomson, 1946
Thomson, George Wm., The Antoine Equation for Vapor-pressure Data., Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001 . [all data]

Scott and Brickwedde, 1945
Scott, R.B.; Brickwedde, F.G., Thermodynamic properties of solid and liquid ethylbenzene from 0 to 300 degrees K, J. RES. NATL. BUR. STAN., 1945, 35, 6, 501-17, https://doi.org/10.6028/jres.035.024 . [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Smith, 1941
Smith, E.R., Boiling points of benzene, 2,2,3-trimethylbutane, 3-ethylpentane, and 2,2,4,4-tetramethylpentane within the range 100 to 1,500 millimeters of mercury, J. RES. NATL. BUR. STAN., 1941, 26, 2, 129-17, https://doi.org/10.6028/jres.026.004 . [all data]

Stuckey and Saylor, 1940
Stuckey, James M.; Saylor, John H., The Vapor Pressures of Some Organic Compounds. I. 1, J. Am. Chem. Soc., 1940, 62, 11, 2922-2925, https://doi.org/10.1021/ja01868a011 . [all data]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [all data]

Deshpande and Pandya, 1967
Deshpande, D.D.; Pandya, M.V., Thermodynamics of Binary Solutions. Part 2. Vapour Pressures and Excess Free Energies of Aniline Solutions, Trans. Faraday Soc., 1967, 63, 2149-2157, https://doi.org/10.1039/tf9676302149 . [all data]

Kalafati, Rasskazov, et al., 1967
Kalafati, D.D.; Rasskazov, D.S.; Petrov, E.K., Experimental Determination of a Dependence of a Saturated Vapor Pressure of Benzene on Temperature, Zh. Fiz. Khim., 1967, 41, 1357-1359. [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Ha, Morrison, et al., 1976
Ha, H.; Morrison, J.A.; Richards, E.L., Vapour pressures of solid benzene, cyclohexane and their mixtures, J. Chem. Soc., Faraday Trans. 1, 1976, 72, 0, 1051, https://doi.org/10.1039/f19767201051 . [all data]

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Notes

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