Toluene

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Condensed phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

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

Data compiled as indicated in comments:
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
Δfliquid2.9 ± 0.26kcal/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
Δfliquid2.87 ± 0.15kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfliquid  CcbSchmidlin, 1906uncertain value: 2.4 kcal/mol; Undetermine error; ALS
Quantity Value Units Method Reference Comment
Δcliquid-937. ± 5.kcal/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid52.811cal/mol*KN/AScott, Guthrie, et al., 1962DH
liquid52.39cal/mol*KN/AKelley, 1929DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
37.545298.15Grolier, Roux-Desgranges, et al., 1993DH
37.275298.15Shiohama, Ogawa, et al., 1988DH
38.22303.15Reddy, 1986T = 303.15, 313.15 K.; DH
37.543298.15Roux-Dexgranges, Grolier, et al., 1986DH
37.930298.15Tardajos, Aicart, et al., 1986DH
37.93298.15Stephens and Olson, 1984T = 266 to 318 K. Cp given as 0.4117 cal g-1 C-1.; DH
37.52298.15Grolier, Inglese, et al., 1982DH
37.560298.15Wilhelm, Faradjzadeh, et al., 1982DH
37.28293.15Atalla, El-Sharkawy, et al., 1981DH
37.52294.71Andolenko and Grigor'ev, 1979T = 293 to 373 K. Unsoothed experimental datum given as 1.704 KJ/kg*K.; DH
37.5375298.15Fortier and Benson, 1979DH
37.5433298.15Fortier and Benson, 1977DH
37.510298.15Wilhelm, Grolier, et al., 1977DH
37.5301298.15Fortier and Benson, 1976DH
37.522298.15Holzhauer and Ziegler, 1975T = 165 to 312 K. Cp = 187.43814 - 0.73026493T + 0.0029613602T2 - 2.8661704x10-6T3 J/mol*K.; DH
37.86298.15Pedersen, Kay, et al., 1975T = 298 to 348 K. Cp(liq) = 154.73 + 0.0981(T/K-273.15) + 0.001949(T/K-273.15)2 J/mol*K (298 to 348 K).; DH
37.48298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
37.40298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
37.91293.Rastorguev and Ganiev, 1967T = 293 to 373 K.; DH
37.603298.711Hwa and Ziegler, 1966T = 181 to 304 K. Unsmoothed experimental datum.; DH
37.579298.15Scott, Guthrie, et al., 1962T = 10 to 360 K.; DH
39.89324.Swietoslawski and Zielenkiewicz, 1958Mean value 21 to 81 C.; DH
33.5295.Tschamler, 1948DH
37.91298.Kurbatov, 1947T = -76 to 60 C, mean Cp, four temperatures.; DH
37.50298.1Zhdanov, 1941T = 5 to 47 C.; DH
37.541298.2Burlew, 1940T = 281 to 383 K.; DH
37.40298.Vold, 1937DH
34.11227.8Aoyama and Kanda, 1935T = 78 to 228 K. Value is unsmoothed experimental datum.; DH
37.40298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
38.70298.15Smith and Andrews, 1931T = 102 to 299 K. Value is unsmoothed experimental datum.; DH
36.58928.444Kelley, 1929T = 14 to 284 K. Value is unsmoothed experimental datum.; DH
36.09293.2Williams and Daniels, 1925T = 20 to 60 C.; DH
36.71303.Willams and Daniels, 1924T = 303 to 343 K. Equation only.; DH
37.81298.von Reis, 1881T = 292 to 390 K.; DH

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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.

Individual Reactions

C7H7- + Hydrogen cation = Toluene

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Δr382.33 ± 0.45kcal/molD-EAGunion, Gilles, et al., 1992gas phase; Kim, Wenthold, et al., 1999, with LN2 cooling of the ion, gives the same EA; B
Δr380.8 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr379.2 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Δr377.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Δr384.5 ± 7.1kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr373.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr372.1 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Δr377.4 ± 7.0kcal/molIMRBBohme and Young, 1971gas phase; B

C3H9Si+ + Toluene = (C3H9Si+ • Toluene)

By formula: C3H9Si+ + C7H8 = (C3H9Si+ • C7H8)

Quantity Value Units Method Reference Comment
Δr28.4kcal/molPHPMSStone and Stone, 1991gas phase; forms pi complex; M
Δr31.3kcal/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms pi complex; M
Δr26.6kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr34.9cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.3468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Bromine anion + Toluene = (Bromine anion • Toluene)

By formula: Br- + C7H8 = (Br- • C7H8)

Quantity Value Units Method Reference Comment
Δr8.6 ± 1.8kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
0.1423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C4H9+ + Toluene = (C4H9+ • Toluene)

By formula: C4H9+ + C7H8 = (C4H9+ • C7H8)

Quantity Value Units Method Reference Comment
Δr28.6kcal/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Δr29.1kcal/molPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M
Quantity Value Units Method Reference Comment
Δr54.5cal/mol*KPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Δr54.6cal/mol*KPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M

C7H8+ + Toluene = (C7H8+ • Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr14.5kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr5.4kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr16.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr29.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C6H7N+ + Toluene = (C6H7N+ • Toluene)

By formula: C6H7N+ + C7H8 = (C6H7N+ • C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C9H12+ + Toluene = (C9H12+ • Toluene)

By formula: C9H12+ + C7H8 = (C9H12+ • C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr12.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C7H8 = (NO- • C7H8)

Quantity Value Units Method Reference Comment
Δr44.2kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

Hydrogen bromide + Benzene, (bromomethyl)- = Toluene + Bromine

By formula: HBr + C7H7Br = C7H8 + Br2

Quantity Value Units Method Reference Comment
Δr8.1 ± 1.0kcal/molEqkBenson and Buss, 1957gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 8.0 ± 0.9 kcal/mol; ALS

Chlorine anion + Toluene = (Chlorine anion • Toluene)

By formula: Cl- + C7H8 = (Cl- • C7H8)

Quantity Value Units Method Reference Comment
Δr4.00kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.0300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

Hydrogen iodide + Benzene, (iodomethyl)- = Toluene + Iodine

By formula: HI + C7H7I = C7H8 + I2

Quantity Value Units Method Reference Comment
Δr-7.8 ± 1.1kcal/molCmGraham, Nichol, et al., 1955liquid phase; solvent: p-Xylene; ALS

Benzene, (bromomethyl)- + 0.5Hydrogen = Toluene + 0.5Bromine

By formula: C7H7Br + 0.5H2 = C7H8 + 0.5Br2

Quantity Value Units Method Reference Comment
Δr-0.9 ± 0.5kcal/molChydAshcroft, Carson, et al., 1963liquid phase; ALS

Iodide + Toluene = (Iodide • Toluene)

By formula: I- + C7H8 = (I- • C7H8)

Quantity Value Units Method Reference Comment
Δr11.0 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

5-Methylene 1,3-cyclohexadiene = Toluene

By formula: C7H8 = C7H8

Quantity Value Units Method Reference Comment
Δr-24. ± 3.kcal/molCmBartmess and Griffith, 1990gas phase; Gas phase acidity; ALS

Benzene, (iodomethyl)- = Toluene + 0.5Iodine

By formula: C7H7I = C7H8 + 0.5I2

Quantity Value Units Method Reference Comment
Δr-9.7 ± 0.4kcal/molChydAshcroft, Carson, et al., 1963liquid phase; ALS

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

By formula: (Li+ • C7H8) + C7H8 = (Li+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr27.8 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Na+ • C7H8) + C7H8 = (Na+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr20.7 ± 0.5kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Cs+ • C7H8) + C7H8 = (Cs+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr14.7 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Rb+ • C7H8) + C7H8 = (Rb+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr16.2 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (K+ • C7H8) + C7H8 = (K+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr17.9 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Cr+ • C7H8) + C7H8 = (Cr+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr53.1 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD

Benzene, 1-methyl-3-(1-methylethyl)- + Benzene = Toluene + Benzene, (1-methylethyl)-

By formula: C10H14 + C6H6 = C7H8 + C9H12

Quantity Value Units Method Reference Comment
Δr0.0 ± 0.1kcal/molEqkTsvetkov, Rozhnov, et al., 1985liquid phase; ALS

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

By formula: Li+ + C7H8 = (Li+ • C7H8)

Quantity Value Units Method Reference Comment
Δr43.7 ± 4.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Na+ + C7H8 = (Na+ • C7H8)

Quantity Value Units Method Reference Comment
Δr26.8 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Cs+ + C7H8 = (Cs+ • C7H8)

Quantity Value Units Method Reference Comment
Δr15.3 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Rb+ + C7H8 = (Rb+ • C7H8)

Quantity Value Units Method Reference Comment
Δr17.0 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: K+ + C7H8 = (K+ • C7H8)

Quantity Value Units Method Reference Comment
Δr19.1 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Cr+ + C7H8 = (Cr+ • C7H8)

Quantity Value Units Method Reference Comment
Δr42.1 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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 C7H8+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.828 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)187.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity180.8kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
187.0Aue, 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
180.1Aue, 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
8.8276 ± 0.0006TELu, Eiden, et al., 1992LL
8.79PEKlasinc, Kovac, et al., 1983LBLHLM
8.80 ± 0.07EISelim and Helal, 1982LBLHLM
8.83PEKimura, Katsumata, et al., 1981LLK
8.82EIMcLoughlin, Morrison, et al., 1979LLK
8.82PETraeger and McLoughlin, 1978LLK
8.82PITraeger and McLoughlin, 1978LLK
8.82 ± 0.01EQLias and Ausloos, 1978LLK
8.84PEBock, Kaim, et al., 1978LLK
8.82PEBehan, Johnstone, et al., 1976LLK
8.81EIHoffman, 1974LLK
8.80PEMcLean, 1973LLK
8.78 ± 0.02PEMaier and Turner, 1973LLK
8.91CTSKobayashi, Kobayashi, et al., 1973LLK
8.8 ± 0.1EIGilbert, Leach, et al., 1973LLK
8.72PEDebies and Rabalais, 1973LLK
8.67EICooks, Bertrand, et al., 1973LLK
8.82PIStebbings and Taylor, 1972LLK
8.89 ± 0.03EIJohnstone and Mellon, 1972LLK
8.71CTSPitt, 1970RDSH
8.82PEDewar and Worley, 1969RDSH
8.80 ± 0.04EIBock, Seidl, et al., 1968RDSH
8.82 ± 0.02PIAkopyan and Vilesov, 1968RDSH
8.82PIBralsford, Harris, et al., 1960RDSH
8.82 ± 0.01PIWatanabe, 1954RDSH
8.82 ± 0.05SPrice and Walsh, 1947RDSH
8.82PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
8.85PEKobayashi, 1978Vertical value; LLK
9.00PEKlasinc, Novak, et al., 1978Vertical value; LLK
8.90 ± 0.03PEMarschner and Goetz, 1974Vertical value; LLK
8.82PEBischof, Dewar, et al., 1974Vertical value; LLK
8.85 ± 0.015PEKobayashi and Nagakura, 1972Vertical value; LLK
9.0 ± 0.03PEKlessinger, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5+16.4 ± 0.2C2H2+HEITajima and Tsuchiya, 1973LLK
C5H5+16.7?EIHarrison, Haynes, et al., 1965RDSH
C6H5+13.70CH3EIHoffman, 1974LLK
C6H5+13.7 ± 0.1CH3EIMajer and Patrick, 1962RDSH
C7H7+10.94HTRPIHuang and Dunbar, 1991T = 0K; LL
C7H7+10.70 ± 0.09HEISelim and Helal, 1982LBLHLM
C7H7+10.71HEIMcLoughlin, Morrison, et al., 1979LLK
C7H7+10.71HPITraeger and McLoughlin, 1978LLK
C7H7+10.71 ± 0.03HTETraeger and McLoughlin, 1977LLK
C7H7+11.8HEIHoffman, 1974LLK
C7H7+11.55 ± 0.05HPIAkopyan and Vilesov, 1968RDSH
C7H7+11.7 ± 0.1HEINounou, 1966RDSH
C7H7+[C6H5CH2+]10.7 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 298K; LL
C7H7+[C6H5CH2+]11.1 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 0K; LL
C7H7+[C6H5CH2+]11.1HPILifshitz, Gotkis, et al., 1993, 2T = 0K; LL
C7H7+[C6H5CH2+]11.17 ± 0.10HPIPECOBombach, Dannacher, et al., 1983T = 0K; LBLHLM
C7H7+[C6H5CH2+]11.17 ± 0.10HPIPECOBombach, Dannacher, et al., 1983, 2T = 0K; LBLHLM
C7H7+[c-C7H7+]11.1 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 0K; LL
C7H7+[c-C7H7+]10.7 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 298K; LL
C7H7+[c-C7H7+]11.1HPILifshitz, Gotkis, et al., 1993, 2T = 0K; LL
C7H7+[c-C7H7+]10.52 ± 0.07HPIPECOBombach, Dannacher, et al., 1983T = 0K; LBLHLM
C7H7+[c-C7H7+]10.52 ± 0.10HPIPECOBombach, Dannacher, et al., 1983, 2T = 0K; LBLHLM

De-protonation reactions

C7H7- + Hydrogen cation = Toluene

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Δr382.33 ± 0.45kcal/molD-EAGunion, Gilles, et al., 1992gas phase; Kim, Wenthold, et al., 1999, with LN2 cooling of the ion, gives the same EA; B
Δr380.8 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr379.2 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Δr377.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Δr384.5 ± 7.1kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr373.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr372.1 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Δr377.4 ± 7.0kcal/molIMRBBohme and Young, 1971gas phase; B

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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]

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]

Schmidlin, 1906
Schmidlin, M.J., Recherches chimiques et thermochimiques sur la constitution des rosanilines, Ann. Chim. Phys., 1906, 1, 195-256. [all data]

Scott, Guthrie, et al., 1962
Scott, D.W.; Guthrie, G.B.; Messerly, J.F.; Todd, S.S.; Berg, W.T.; Hossenlopp, I.A.; McCullough, J.P., Toluene: thermodynamic properties, molecular vibrations, and internal rotation, J. Phys. Chem., 1962, 66, 911-914. [all data]

Kelley, 1929
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Notes

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