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Toluene

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Gas phase thermochemistry data

Go To: Top, 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, References, Notes

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas12.0 ± 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
Deltafgas11.95 ± 0.15kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafgas11.5kcal/molN/ASchmidlin, 1906Value computed using «DELTA»fHliquid° value of 10.0 kj/mol from Schmidlin, 1906 and «DELTA»vapH° value of 38.0 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
16.69200.Draeger, 1985Recommended values agree better with experimental heat capacities than results of calculation [ Chao J., 1984]. All other statistically calculated values [ Pitzer K.S., 1943, Taylor W.J., 1946, Scott D.W., 1962] are in close agreement with selected ones, except for high temperatures.; GT
22.63273.15
24.78 ± 0.1298.15
24.95300.
33.44400.
40.82500.
46.89600.
51.86700.
56.00800.
59.49900.
62.431000.
64.961100.
67.111200.
68.951300.
70.551400.
71.941500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
31.090 ± 0.062371.20Scott D.W., 1962Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Taylor W.J., 1946.; GT
33.51390.
32.80 ± 0.30393.
33.191 ± 0.065396.20
34.99410.
35.650 ± 0.072427.20
35.70 ± 0.40428.
38.320 ± 0.076462.20
38.00 ± 0.40463.
40.980 ± 0.081500.20

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, 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
Deltafliquid2.9 ± 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
Deltafliquid2.87 ± 0.15kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafliquid  CcbSchmidlin, 1906uncertain value: 2.4 kcal/mol; Undetermine error; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-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

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, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil383.8 ± 0.2KAVGN/AAverage of 110 out of 132 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus178.1 ± 0.6KAVGN/AAverage of 24 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple178.15KN/AScott, Guthrie, et al., 1962, 2Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple178.00KN/AZiegler and Andrews, 1942Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple177.9KN/AStull, 1937Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple177.95KN/AKelley, 1929, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc593. ± 2.KAVGN/AAverage of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Pc41. ± 1.atmAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.316l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
rhoc3.17 ± 0.010mol/lN/ATsonopoulos and Ambrose, 1995 
rhoc3.16mol/lN/AChirico and Steele, 1994Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc3.15mol/lN/AGoodwin, 1989Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc3.16mol/lN/ASteele, Chirico, et al., 1988Uncertainty assigned by TRC = 0.05 mol/l; TRC
rhoc3.162mol/lN/ASimon, 1957Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap9.0 ± 0.7kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub10.3kcal/molBLenchitz and Velicky, 1970AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
287.70.020Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.930383.8N/AMajer and Svoboda, 1985 
8.53346.N/ALee and Holder, 1993Based on data from 331. - 496. K.; AC
9.70264.AStephenson and Malanowski, 1987Based on data from 210. - 279. K.; AC
8.22398.AStephenson and Malanowski, 1987Based on data from 383. - 445. K.; AC
7.93455.AStephenson and Malanowski, 1987Based on data from 440. - 531. K.; AC
7.96545.AStephenson and Malanowski, 1987Based on data from 530. - 592. K.; AC
9.30284.AStephenson and Malanowski, 1987Based on data from 273. - 295. K.; AC
8.84323.N/AStephenson and Malanowski, 1987Based on data from 308. - 386. K. See also Forziati, Norris, et al., 1949.; AC
8.01 ± 0.02380.CNatarajan and Viswanath, 1985AC
7.67 ± 0.02403.CNatarajan and Viswanath, 1985AC
7.03 ± 0.02441.CNatarajan and Viswanath, 1985AC
6.48 ± 0.02470.CNatarajan and Viswanath, 1985AC
5.74 ± 0.02505.CNatarajan and Viswanath, 1985AC
8.46333.N/AEubank, Cediel, et al., 1984AC
7.98373.N/AEubank, Cediel, et al., 1984AC
7.50413.N/AEubank, Cediel, et al., 1984AC
6.79453.N/AEubank, Cediel, et al., 1984AC
5.74493.N/AEubank, Cediel, et al., 1984AC
8.46360.N/ARivenq, 1975Based on data from 343. - 383. K.; AC
8.91318.N/AGaw and Swinton, 1968Based on data from 303. - 343. K.; AC
8.82303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. - 348. K.; AC
8.521341.27VScott, Gutherie, et al., 1962low T and vapor flow calorimetry; ALS
9.03278.N/AMilazzo, 1956Based on data from 210. - 293. K.; AC
9.03301.N/AThomson, 1946Based on data from 286. - 362. K.; AC
8.84323.MMWillingham, Taylor, et al., 1945Based on data from 308. - 384. K.; AC
9.27288.N/APitzer and Scott, 1943Based on data from 273. - 323. K.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
298. - 410.12.690.2774591.7Majer 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
273.13 - 297.894.231081426.448-45.957Besley and Bottomley, 1974Coefficents calculated by NIST from author's data.
303. - 343.4.076741346.382-53.508Gaw and Swinton, 1968, 2Coefficents calculated by NIST from author's data.
420.00 - 580.004.538651738.1230.394Ambrose, Broderick, et al., 1967Coefficents calculated by NIST from author's data.
308.52 - 384.664.072561343.943-53.773Williamham, Taylor, et al., 1945 
273. - 323.4.135861377.578-50.507Pitzer and Scott, 1943Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.586178.15Scott, Guthrie, et al., 1962DH
1.582177.95Kelley, 1929DH
1.565178.0Ziegler and Andrews, 1942, 2DH
1.58178.Domalski and Hearing, 1996See also Southard and Andrews, 1930.; AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
8.903178.15Scott, Guthrie, et al., 1962DH
8.891177.95Kelley, 1929DH
8.793178.0Ziegler and Andrews, 1942, 2DH

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, 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
Deltar382.33 ± 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
Deltar380.8 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.2 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar377.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Deltar384.5 ± 7.1kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar373.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar372.1 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar377.4 ± 7.0kcal/molIMRBBohme and Young, 1971gas phase; B

C3H9Si+ + Toluene = (C3H9Si+ bullet Toluene)

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

Quantity Value Units Method Reference Comment
Deltar28.4kcal/molPHPMSStone and Stone, 1991gas phase; forms pi complex; M
Deltar31.3kcal/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms pi complex; M
Deltar26.6kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar34.9cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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 bullet Toluene)

By formula: Br- + C7H8 = (Br- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar8.6 ± 1.8kcal/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar0.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

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

C4H9+ + Toluene = (C4H9+ bullet Toluene)

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

Quantity Value Units Method Reference Comment
Deltar28.6kcal/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Deltar29.1kcal/molPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M
Quantity Value Units Method Reference Comment
Deltar54.5cal/mol*KPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Deltar54.6cal/mol*KPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M

C7H8+ + Toluene = (C7H8+ bullet Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14.5kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
Deltar5.4kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Deltar16.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C6H7N+ + Toluene = (C6H7N+ bullet Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C9H12+ + Toluene = (C9H12+ bullet Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar12.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C7H8 = (NO- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar44.2kcal/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
Deltar8.1 ± 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 bullet Toluene)

By formula: Cl- + C7H8 = (Cl- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar4.00kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (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
Deltar-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
Deltar-0.9 ± 0.5kcal/molChydAshcroft, Carson, et al., 1963liquid phase; ALS

Iodide + Toluene = (Iodide bullet Toluene)

By formula: I- + C7H8 = (I- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar11.0 ± 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
Deltar-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
Deltar-9.7 ± 0.4kcal/molChydAshcroft, Carson, et al., 1963liquid phase; ALS

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

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

Quantity Value Units Method Reference Comment
Deltar27.8 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar20.7 ± 0.5kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar14.7 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar16.2 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar17.9 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar53.1 ± 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
Deltar0.0 ± 0.1kcal/molEqkTsvetkov, Rozhnov, et al., 1985liquid phase; ALS

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

By formula: Li+ + C7H8 = (Li+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar43.7 ± 4.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Na+ + C7H8 = (Na+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar26.8 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Cs+ + C7H8 = (Cs+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar15.3 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Rb+ + C7H8 = (Rb+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar17.0 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: K+ + C7H8 = (K+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar19.1 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Cr+ + C7H8 = (Cr+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar42.1 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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

Data compiled by: 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
0.154000.LN/A 
0.184100.MN/A 
0.16 MN/A 
0.16 XN/AValue given here as cited in missing citation.
0.13 MN/A 
0.153400.MN/A 
0.16 XN/AValue given here as cited in missing citation.
0.16 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.145000.XN/A 
0.178400.XN/A 
0.153000.XN/A 
0.151900.XN/A 
0.153700.XLeighton and Calo, 1981 
0.15 LN/A 
0.154900.XN/A 
0.15 MMackay, Shiu, et al., 1979 
0.15 TMackay, Shiu, et al., 1979 
0.15 VN/A 
0.19 MN/A 
0.214600.MN/A 
0.15 XN/AValue given here as cited in missing citation.
0.175900.MN/A 
0.18 VBohon and Claussen, 1951 

Gas phase ion energetics 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 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
Deltar382.33 ± 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
Deltar380.8 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.2 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar377.0 ± 3.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Deltar384.5 ± 7.1kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar373.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar372.1 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar377.4 ± 7.0kcal/molIMRBBohme and Young, 1971gas phase; B

Ion clustering 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:
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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Toluene = (Bromine anion bullet Toluene)

By formula: Br- + C7H8 = (Br- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar8.6 ± 1.8kcal/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar0.1 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; «DELTA»Gaff measured at 303 K, corrected to 423 K, «DELTA»Saff taken as that of PhNO2..Br-; B

Free energy of reaction

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

C3H9Si+ + Toluene = (C3H9Si+ bullet Toluene)

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

Quantity Value Units Method Reference Comment
Deltar28.4kcal/molPHPMSStone and Stone, 1991gas phase; forms pi complex; M
Deltar31.3kcal/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms pi complex; M
Deltar26.6kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar34.9cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (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

C4H9+ + Toluene = (C4H9+ bullet Toluene)

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

Quantity Value Units Method Reference Comment
Deltar28.6kcal/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Deltar29.1kcal/molPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M
Quantity Value Units Method Reference Comment
Deltar54.5cal/mol*KPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Deltar54.6cal/mol*KPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M

C6H7N+ + Toluene = (C6H7N+ bullet Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C7H8+ + Toluene = (C7H8+ bullet Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14.5kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
Deltar5.4kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Deltar16.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H12+ + Toluene = (C9H12+ bullet Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar12.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

Chlorine anion + Toluene = (Chlorine anion bullet Toluene)

By formula: Cl- + C7H8 = (Cl- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar4.00kcal/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

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

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

By formula: Cr+ + C7H8 = (Cr+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar42.1 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD

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

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

Quantity Value Units Method Reference Comment
Deltar53.1 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD

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

By formula: Cs+ + C7H8 = (Cs+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar15.3 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar14.7 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

Iodide + Toluene = (Iodide bullet Toluene)

By formula: I- + C7H8 = (I- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar11.0 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

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

By formula: K+ + C7H8 = (K+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar19.1 ± 1.2kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar17.9 ± 1.1kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Li+ + C7H8 = (Li+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar43.7 ± 4.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar27.8 ± 0.7kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: NO- + C7H8 = (NO- bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar44.2kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

By formula: Na+ + C7H8 = (Na+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar26.8 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar20.7 ± 0.5kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Rb+ + C7H8 = (Rb+ bullet C7H8)

Quantity Value Units Method Reference Comment
Deltar17.0 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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

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

Quantity Value Units Method Reference Comment
Deltar16.2 ± 1.0kcal/molCIDTAmunugama and Rodgers, 2002RCD

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, 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, 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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Additional Data

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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 Japan AIST/NIMC Database- Spectrum MS-NW- 67
NIST MS number 227551

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), 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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Additional Data

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Source Ramart-Lucas and Bertucat, 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. 415
Instrument n.i.g.
Melting point -94.9
Boiling point 110.6

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, 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]

Draeger, 1985
Draeger, J.A., The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation, J. Chem. Thermodyn., 1985, 17, 263-275. [all data]

Chao J., 1984
Chao J., Chemical thermodynamic properties of toluene, o-, m- and p-xylenes, Thermochim. Acta, 1984, 72, 323-334. [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]

Taylor W.J., 1946
Taylor W.J., Heats, equilibrium constants, and free energies of formation of the alkylbenzenes, J. Res. Nat. Bur. Stand., 1946, 37, 95-122. [all data]

Scott D.W., 1962
Scott D.W., Toluene: thermodynamic properties, molecular vibrations, and internal rotation, J. Phys. Chem., 1962, 66, 911-914. [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]

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
Kelley, K.K., The heat capacity of toluene from 14K to 298K. The entropy and the free energy of formation, J. Am. Chem. Soc., 1929, 51, 2738-2741. [all data]

Grolier, Roux-Desgranges, et al., 1993
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Notes

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