Benzene

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Gas phase thermochemistry data

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

Data compiled as indicated in comments:
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
Δfgas19.8 ± 0.2kcal/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
Δfgas19.8kcal/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
Δfgas19.82 ± 0.12kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfgas19.1kcal/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 (cal/mol*K) Temperature (K) Reference Comment
7.95250.Thermodynamics Research Center, 1997GT
8.391100.
10.02150.
12.71200.
17.82273.15
19.70298.15
19.84300.
27.132400.
33.305500.
38.262600.
42.251700.
45.519800.
48.236900.
50.5281000.
52.4761100.
54.1401200.
55.5661300.
56.8001400.
57.8661500.
59.9691750.
61.4872000.
62.6082250.
63.4562500.
64.1092750.
64.6203000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
22.30 ± 0.01333.15Todd S.S., 1978Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT
22.90341.60
23.42 ± 0.01348.15
24.85 ± 0.01368.15
25.100370.
25.041371.20
26.00 ± 0.30388.
26.501390.
26.40 ± 0.30393.
27.230402.30
27.32 ± 0.02403.15
27.600410.
28.10 ± 0.30417.
28.40 ± 0.30428.
29.491436.15
29.62 ± 0.02438.15
30.30 ± 0.30463.
31.649471.10
31.77 ± 0.02473.15
31.40 ± 0.30481.
33.33 ± 0.02500.15
34.80 ± 0.02527.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
Δfliquid12. ± 0.2kcal/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
Δfliquid11.70 ± 0.13kcal/molCcbGood and Smith, 1969ALS
Δfliquid11.72 ± 0.12kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfliquid11.0kcal/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid-781. ± 4.kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
liquid41.410cal/mol*KN/AOliver, Eaton, et al., 1948DH
liquid41.90cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity Value Units Method Reference Comment
solid,1 bar10.89cal/mol*KN/AAhlberg, Blanchard, et al., 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
32.431298.15Grolier, Roux-Desgranges, et al., 1993DH
32.48298.5Czarnota, 1991p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
32.414298.15Lainez, Rodrigo, et al., 1989DH
32.177298.15Shiohama, Ogawa, et al., 1988DH
32.445298.15Grolier, Roux-Desgranges, et al., 1987DH
32.173293.15Kalali, Kohler, et al., 1987T = 293.15, 313.15 K.; DH
32.4348298.15Tanaka, 1987DH
33.44322.05Naziev, Bashirov, et al., 1986T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
32.84303.15Reddy, 1986T = 303.15, 313.15 K.; DH
32.519298.15Ogawa and Murakami, 1985DH
32.4374298.15Tanaka, 1985DH
32.562298.15Gorbunova, 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
32.62300.Gorbunova, Grigoriev, et al., 1982T = 280 to 353 K. Data also given by equation.; DH
32.43298.15Grolier, Inglese, et al., 1982T = 298.15 K.; DH
32.443298.15Tanaka, 1982Temperatures 293.15, 298.15, 303.15 K.; DH
32.409298.15Wilhelm, Faradjzadeh, et al., 1982DH
31.93293.15Atalla, El-Sharkawy, et al., 1981DH
32.481298.15Vesely, Zabransky, et al., 1979DH
32.412298.15Grolier, Wilhelm, et al., 1978DH
32.481298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
32.409298.15Wilhelm, Grolier, et al., 1977DH
32.447298.15Fortier, Benson, et al., 1976DH
32.4474298.15Fortier and Benson, 1976DH
32.43298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
32.10298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
32.48298.15Hyder Khan and Subrahmanyam, 1971T = 298; 313 K.; DH
32.48298.Subrahmanyam and Khan, 1969DH
32.36298.Recko, 1968T = 24 to 40°C, equation only.; DH
31.1298.Pacor, 1967DH
32.17293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
32.337300.Findenegg, Gruber, et al., 1965DH
32.261298.Rabinovich and Nikolaev, 1962T = 10 to 35°C.; DH
32.29316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
32.60303.Duff and Everett, 1956T = 303 to 353 K.; DH
32.321298.Staveley, Tupman, et al., 1955T = 288 to 347 K.; DH
7.60293.Sieg, Crtzen, et al., 1951DH
32.519298.15Oliver, Eaton, et al., 1948T = 13 to 337 K.; DH
28.4295.Tschamler, 1948DH
31.91298.Kurbatov, 1947T = 9 to 80°C, mean Cp, five temperatures.; DH
32.50298.1Zhdanov, 1941T = 8 to 46°C.; DH
32.371298.2Burlew, 1940T = 281 to 353 K.; DH
31.41287.8Kolosovskii and Udovenko, 1934DH
31.41287.8de Kolossowsky and Udowenko, 1933DH
31.41298.15Ferguson and Miller, 1933T = 293 to 323 K. Data calculated from equation.; DH
32.29298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
34.314323.15Fiock, Ginnings, et al., 1931T = 50 to 110°C.; DH
32.29300.0Huffman, Parks, et al., 1930T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
31.60298.Andrews, Lynn, et al., 1926T = -18 to 110°C.; DH
31.81293.2Williams and Daniels, 1925T = 20 to 60°C.; DH
32.00303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
32.79298.Dejardin, 1919T = 24 to 50°C.; DH
31.91298.von Reis, 1881T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
11.4490.Ahlberg, Blanchard, et al., 1937T = 4 to 93 K.; DH
23.4223.9Aoyama and Kanda, 1935T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
28.30273.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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
Pc48.3 ± 0.4atmAVGN/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
Δvap8.10 ± 0.03kcal/molAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub10.6kcal/molTE,MEKruif, 1980Based on data from 183. to 197. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.342353.3N/AMajer and Svoboda, 1985 
7.93320.N/ALubomska, Banas, et al., 2002Based on data from 305. to 345. K.; AC
8.51258. to 313.GCLiu and Dickhut, 1994AC
8.01311.EBAmbrose, Ewing, et al., 1990Based on data from 296. to 377. K.; AC
7.98307.CDong, Lin, et al., 1988AC
7.91314.CDong, Lin, et al., 1988AC
7.74324.CDong, Lin, et al., 1988AC
7.62332.CDong, Lin, et al., 1988AC
7.50344.CDong, Lin, et al., 1988AC
7.31353.CDong, Lin, et al., 1988AC
8.22294.AStephenson and Malanowski, 1987Based on data from 279. to 377. K.; AC
7.53368.AStephenson and Malanowski, 1987Based on data from 353. to 422. K.; AC
7.22435.AStephenson and Malanowski, 1987Based on data from 420. to 502. K.; AC
7.24516.AStephenson and Malanowski, 1987Based on data from 501. to 562. K.; AC
7.36352.N/ANatarajan, 1983AC
7.29361.N/ANatarajan, 1983AC
7.22366.N/ANatarajan, 1983AC
8.44343.N/ATsonopoulos and Wilson, 1983Based on data from 313. to 373. K.; AC
7.4350.N/ARao and Viswanath, 1977AC
7.89 ± 0.02313.CSvoboda, Veselý, et al., 1973AC
7.70 ± 0.02328.CSvoboda, Veselý, et al., 1973AC
7.60 ± 0.02333.CSvoboda, Veselý, et al., 1973AC
7.50 ± 0.02343.CSvoboda, Veselý, et al., 1973AC
7.39 ± 0.02353.CSvoboda, Veselý, et al., 1973AC
7.79 ± 0.1313.DSCMita, Imai, et al., 1971AC
7.8 ± 0.1328.DSCMita, Imai, et al., 1971AC
7.55 ± 0.1345.DSCMita, Imai, et al., 1971AC
8.15299.N/AForziati, Norris, et al., 1949Based on data from 284. to 354. K.; AC
8.15293.N/AYarym-Agaev, Fedos'ev, et al., 1949AC
8.15297.N/AThomson, 1946Based on data from 282. to 354. K.; AC
7.46294.N/AScott and Brickwedde, 1945AC
8.15303.MMWillingham, Taylor, et al., 1945Based on data from 288. to 354. K.; AC
7.98313.EBSmith, 1941Based on data from 298. to 373. K.; AC
8.25288.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) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 293. to 469.
A (kcal/mol) 11.33
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 (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
333.4 to 373.54.720121660.652-1.461Eon, Pommier, et al., 1971Coefficents calculated by NIST from author's data.
297.9 to 318.0.1402039.165-261.236Deshpande and Pandya, 1967Coefficents calculated by NIST from author's data.
421.56 to 554.84.597911701.07320.806Kalafati, Rasskazov, et al., 1967Coefficents calculated by NIST from author's data.
287.70 to 354.074.012431203.835-53.226Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
9.97258. to 273.N/ALiu and Dickhut, 1994AC
10.8264.AStephenson and Malanowski, 1987Based on data from 223. to 279. K. See also Ha, Morrison, et al., 1976.; AC
10.8278.N/AHessler, 1984AC
12.9 ± 0.2193.N/ADe Kruif and Van Ginkel, 1977AC
11.8 ± 0.1193.N/ADe Kruif and Van Ginkel, 1977AC
10.9279.MMJackowski, 1974Based on data from 221. to 268. K.; AC
10.5261.N/AJones, 1960AC
10.3229.N/AJones, 1960AC
10.7279.N/AMilazzo, 1956AC
11.1282.AStull, 1947Based on data from 263. to 270. K.; AC
9.2303.VWolf and Weghofer, 1938ALS
10.7273.N/Ade Boer, 1936See also Jackowski, 1974.; AC
10.3226.AMündel, 1913Based on data from 214. to 238. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
2.3581278.69N/AOliver, Eaton, et al., 1948DH
2.370278.65N/AZiegler and Andrews, 1942DH
2.36278.7CDomalski and Hearing, 1996See also Andrews, Lynn, et al., 1926 and Ziegler and Andrews, 1942.; AC
2.223279.1N/ASmith, 1979DH
2.139278.8N/APacor, 1967DH
2.375278.6N/ATschamler, 1948DH
2.343278.6N/AHuffman, Parks, et al., 1930DH
2.360278.55N/AAndrews, Lynn, et al., 1926DH
2.3901278.64N/AMaass and Walbauer, 1925DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.461278.69Oliver, Eaton, et al., 1948DH
8.506278.65Ziegler and Andrews, 1942DH
7.96279.1Smith, 1979DH
7.67278.8Pacor, 1967DH
8.411278.6Huffman, Parks, et al., 1930DH
8.48278.55Andrews, Lynn, et al., 1926DH
8.58278.64Maass 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
Δr6.00 ± 0.46kcal/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Δr9.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.90kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr8.7kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr10.4kcal/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr17.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr17.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr22.cal/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.0 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr3.8 ± 1.6kcal/molIMREChowdhury and Kebarle, 1986gas phase; B
Δr4.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr3.80kcal/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.6300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8300.PHPMSChowdhury and Kebarle, 1986gas phase; M
3.8300.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
Δr401.22 ± 0.50kcal/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
Δr401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
Δr400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
Δr398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr392.40 ± 0.40kcal/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
Δr390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
Δr389.2 ± 5.5kcal/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
Δr14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Δr27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Δr23.cal/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
Δr38.5 ± 3.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr37.9kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δr36.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr27.5cal/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
Δr29.7kcal/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
Δr9.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr17.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; B
Δr3.9 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

ΔrG° (kcal/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
Δr20. ± 1.kcal/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
Δr22.8 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr21.1 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr21.1 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr28.0kcal/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr31.2cal/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.7298.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
Δr11.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.6331.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
Δr12.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.6kcal/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
Δr10.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.2kcal/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
Δr8.kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0252.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
Δr39.9 ± 3.3kcal/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
39.9 (+3.2,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M
27.0 (+1.0,-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
Δr12.2kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr5.5kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/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
Δr21.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.7491.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
Δr14.4kcal/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
Δr30.1cal/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
Δr11.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr26.3cal/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
Δr12.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr21.4cal/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
Δr6.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.1 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr14.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr9.0kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr9.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr6.kcal/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
Δr12.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr29.4cal/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
Δr7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/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
Δr12.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr33.7cal/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
Δr40.2kcal/molMIDLin, Chen, et al., 1997RCD
Δr39.2 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD
Δr40.6 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
40.6 (+2.3,-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
Δr13.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr26.1cal/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
Δr18.1kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr29.9cal/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
Δr13.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr24.3cal/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
Δr12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr27.6cal/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
Δr16.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr27.1cal/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
Δr50.7 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD
Δr55.4 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
55.3 (+4.4,-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
Δr15.30kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr9.40kcal/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
Δr34.4kcal/molMIDLin, Chen, et al., 1997RCD
Δr31.8 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
31.8 (+2.1,-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>55.kcal/molRAKGapeev and Dunbar, 2002RCD
Δr55.9 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
55.8 (+2.3,-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
Δr47.1kcal/molRAKGapeev and Dunbar, 2002RCD
Δr49.5 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
49.6 (+2.3,-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
Δr50.9kcal/molRAKGapeev and Dunbar, 2002RCD
Δr61.9 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
61.8 (+2.1,-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
Δr16.1 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr18.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr33.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr22.kcal/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Δr49.cal/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
Δr7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr19.8cal/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
Δr17.5 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr19.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr24.6cal/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
Δr11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/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
Δr9.0kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/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
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/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
Δr10.6kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/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
Δr41.1kcal/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
Δr44.7 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
44.7 (+3.9,-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
Δr60.5 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.4 (+4.4,-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
Δr48.5 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
48.4 (+3.9,-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
Δr35.1 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
35.1 (+2.8,-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
Δr37.0 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
37.1 (+2.8,-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
Δr21.5 ± 4.2kcal/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
Δr58.1 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.18 MN/A missing citation also measured solubilities in salt solutions.
0.164100.LN/A 
0.213600.MN/A 
0.21 MN/A 
0.18 XN/AValue given here as cited in missing citation.
0.17 MN/A 
0.193800.MN/A 
0.173900.XN/A 
0.18 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.164300.XN/A 
0.183200.XN/A 
0.182200.XN/A 
0.184000.XLeighton and Calo, 1981 
0.18 LN/A 
0.125300.XN/A 
0.194300.XN/A 
0.18 MMackay, Shiu, et al., 1979 
0.18 TMackay, Shiu, et al., 1979 
0.18 VN/A 
0.18 MN/A 
0.224200.MN/A 
0.164500.MN/A 
0.18 VBohon and Claussen, 1951 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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)179.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity173.4kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
178.4Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
172.5Aue, 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
Δr401.22 ± 0.50kcal/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
Δr401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
Δr400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
Δr398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr392.40 ± 0.40kcal/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
Δr390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
Δr389.2 ± 5.5kcal/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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
Δr37.3 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr39.9 ± 4.5kcal/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
Δr39.9 ± 4.5kcal/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
Δr35.1 ± 1.9kcal/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
Δr70.0kcal/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<35.5kcal/molPDisWilley, Yeh, et al., 1992RCD

Bromine anion + Benzene = (Bromine anion • Benzene)

By formula: Br- + C6H6 = (Br- • C6H6)

Quantity Value Units Method Reference Comment
Δr9.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr17.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; B
Δr3.9 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

ΔrG° (kcal/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
Δr18.8kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/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
Δr21.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.7491.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
Δr9.0kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr9.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr6.kcal/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
Δr23.9kcal/molPHPMSWojtyniak and Stone, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr34.7cal/mol*KPHPMSWojtyniak and Stone, 1986gas phase; M

C3H10N+ + Benzene = (C3H10N+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr15.9kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr27.7cal/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
Δr13.kcal/molHPMSField, Hamlet, et al., 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
Δr22.kcal/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Δr49.cal/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
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/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
Δr14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Δr27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Δr23.cal/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
Δr7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr19.8cal/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
Δr7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/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
Δr8.5kcal/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
Δr8.3kcal/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
Δr8.0kcal/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
Δr7.9kcal/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
Δr7.8kcal/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
Δr7.8kcal/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
Δr8.0kcal/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
Δr8.3kcal/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
Δr8.1kcal/molPDissBeck and Hecht, 1991gas phase; M

C6H6NO- + 2Benzene = C12H12NO-

By formula: C6H6NO- + 2C6H6 = C12H12NO-

Quantity Value Units Method Reference Comment
Δr17.5 ± 2.3kcal/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
Δr11.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/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
Δr11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/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
Δr12.2kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr5.5kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/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
Δr12.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.6kcal/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
Δr10.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.2kcal/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
Δr10.6kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/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
Δr11.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.6331.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
Δr8.kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.0252.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
Δr9.0kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr24.0cal/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
Δr32.5 ± 4.5kcal/molRAKHo, Yang, et al., 1997RCD

Chlorine anion + Benzene = (Chlorine anion • Benzene)

By formula: Cl- + C6H6 = (Cl- • C6H6)

Quantity Value Units Method Reference Comment
Δr6.00 ± 0.46kcal/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Δr9.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.90kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr8.7kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr10.4kcal/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr17.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δr17.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δr22.cal/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.0 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr3.8 ± 1.6kcal/molIMREChowdhury and Kebarle, 1986gas phase; B
Δr4.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Δr3.80kcal/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.6300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8300.PHPMSChowdhury and Kebarle, 1986gas phase; M
3.8300.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
Δr61.2 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
61.1 (+2.5,-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
Δr39.9 ± 3.3kcal/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
39.9 (+3.2,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M
27.0 (+1.0,-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
Δr40.2kcal/molMIDLin, Chen, et al., 1997RCD
Δr39.2 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD
Δr40.6 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
40.6 (+2.3,-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
Δr50.7 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD
Δr55.4 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
55.3 (+4.4,-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
Δr15.4 ± 1.2kcal/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
Δr14.0 ± 1.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD

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

By formula: Cu+ + C6H6 = (Cu+ • C6H6)

Quantity Value Units Method Reference Comment
Δr52.1 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
52.1 (+2.3,-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
Δr37.0 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
37.1 (+2.8,-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
Δr15.30kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr9.40kcal/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
Δr47.1kcal/molRAKGapeev and Dunbar, 2002RCD
Δr49.5 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
49.6 (+2.3,-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
Δr44.7 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
44.7 (+3.9,-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
Δr19.3kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr23.3cal/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
Δr17.0kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5cal/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
Δr14.2kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr32.9cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

Iodide + Benzene = (Iodide • Benzene)

By formula: I- + C6H6 = (I- • C6H6)

Quantity Value Units Method Reference Comment
Δr6.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.1 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr14.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr1.8 ± 2.6kcal/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
Δr17.5 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr19.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr24.6cal/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
Δr16.1 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr18.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr33.9cal/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
Δr14.5kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr32.7cal/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
Δr12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Δr41.4cal/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
Δr14.4kcal/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
Δr30.1cal/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
Δr12.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr33.7cal/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
Δr16.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr27.1cal/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
Δr13.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr24.3cal/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
Δr12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr27.6cal/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
Δr38.5 ± 3.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr37.9kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δr36.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr27.5cal/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
Δr29.7kcal/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
Δr24.9 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD

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

By formula: Mg+ + C6H6 = (Mg+ • C6H6)

Quantity Value Units Method Reference Comment
Δr32.0 ± 2.3kcal/molCIDTAndersen, Muntean, et al., 2000RCD
Δr37.0kcal/molRAKGapeev and Dunbar, 2000RCD

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

By formula: Mn+ + C6H6 = (Mn+ • C6H6)

Quantity Value Units Method Reference Comment
Δr34.4kcal/molMIDLin, Chen, et al., 1997RCD
Δr31.8 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
31.8 (+2.1,-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
Δr48.5 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
48.4 (+3.9,-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
Δr9.5 ± 2.3kcal/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
Δr41.1kcal/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
Δr22.8 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr21.1 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Δr21.1 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr28.0kcal/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr31.2cal/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.7298.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
Δr20. ± 1.kcal/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
Δr58.1 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
58.1 (+2.5,-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
Δr35.1 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
35.1 (+2.8,-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
Δr14.1 ± 2.3kcal/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
Δr26.2kcal/molPHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Δr21.6cal/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
Δr16.4 ± 0.9kcal/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
Δr15.0 ± 1.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD

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

By formula: Ti+ + C6H6 = (Ti+ • C6H6)

Quantity Value Units Method Reference Comment
Δr50.9kcal/molRAKGapeev and Dunbar, 2002RCD
Δr61.9 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
61.8 (+2.1,-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
Δr60.5 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.4 (+4.4,-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>55.kcal/molRAKGapeev and Dunbar, 2002RCD
Δr55.9 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
55.8 (+2.3,-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
Δr58.8 ± 4.4kcal/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
Δr3. ± 15.kcal/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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114388

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Download spectrum in JCAMP-DX format.

Source Romand and Vodar, 1951
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 118
Instrument n.i.g.
Melting point 5.5
Boiling point 80.0

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Site Links, NIST Free Links, 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: Takehiko Shimanouchi

Symmetry:   D6h     Symmetry Number σ = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1g 1 CH str 3062  C  ia 3061.9 VS p liq.
a1g 2 Ring str 992  C  ia 991.6 VS p liq.
a2g 3 CH bend 1326  E  ia 1326 VW liq.
a2u 4 CH bend 673  B 673 S gas  ia
b1u 5 CH str 3068  C 3067.57 VW sln.  ia
b1u 6 Ring deform 1010  C 1010 W sln.  ia
b2g 7 CH bend 995  E  ia  ia OC197207)
b2g 8 Ring deform 703  E  ia  ia OC198, ν208)
b2u 9 Ring str 1310  C 1310 W liq.  ia
b2u 10 CH bend 1150  C 1150 W liq.  ia
e1g 11 CH bend 849  C  ia 848.9 M dp liq.
e1u 12 CH str 3063  E 3080 S liq.  ia FR1316)
e1u 12 CH str 3063  E 3030 S liq.  ia FR1316)
e1u 13 Ring str + deform 1486  B 1486 S gas  ia
e1u 14 CH bend 1038  B 1038 S gas  ia
e2g 15 CH str 3047  C  ia 3046.8 S dp liq.
e2g 16 Ring str 1596  E  ia 1606.4 S dp liq. FR218)
e2g 16 Ring str 1596  E  ia 1584.6 S dp liq. FR218)
e2g 17 CH bend 1178  C  ia 1178.0 S dp liq.
e2g 18 Ring deform 606  C  ia 605.6 S dp liq.
e2u 19 CH bend 975  C 975 W liq.  ia
e2u 20 Ring deform 410  C 417.7 S sln.  ia
e2u 20 Ring deform 410  C 403.0 S sln.  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Site Links, NIST Free Links, 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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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]

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

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

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
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

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
Pitzer K.S., The thermodynamics and molecular structure of benzene and its methyl derivatives, J. Am. Chem. Soc., 1943, 65, 803-829. [all data]

Scott D.W., 1947
Scott D.W., The heat capacity of benzene vapor. The contribution of anharmonicity, J. Chem. Phys., 1947, 15, 565-568. [all data]

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

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

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

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

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

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

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

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

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

Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A., Experimental device for measurement of isobaric specific heat of electrolytes at elevated pressures, Inzh-Fiz. Zhur., 1986, 51(5), 789-795. [all data]

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
Ogawa, H.; Murakami, S., Flow microcalorimeter for heat capacities of solutions, Thermochim. Acta, 1985, 88, 255-260. [all data]

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
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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
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Swietoslawski and Zielenkiewicz, 1960
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Duff and Everett, 1956
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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]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]

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
Richards, W.T.; Wallace, J.H., Jr., The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients, J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]

Fiock, Ginnings, et al., 1931
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Notes

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