Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Toluene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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
Deltafgas50.1 ± 1.1kJ/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
Deltafgas50.00 ± 0.63kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafgas48.0kJ/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 (J/mol*K) Temperature (K) Reference Comment
69.85200.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
94.68273.15
103.7 ± 0.4298.15
104.4300.
139.9400.
170.8500.
196.2600.
217.0700.
234.3800.
248.9900.
261.21000.
271.81100.
280.81200.
288.51300.
295.21400.
301.01500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
130.08 ± 0.26371.20Scott D.W., 1962Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Taylor W.J., 1946.; GT
140.2390.
137.2 ± 1.3393.
138.87 ± 0.27396.20
146.4410.
149.16 ± 0.30427.20
149.4 ± 1.7428.
160.33 ± 0.32462.20
159.0 ± 1.7463.
171.46 ± 0.34500.20

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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
Deltafliquid12. ± 1.1kJ/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
Deltafliquid12.0 ± 0.63kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Deltafliquid  CcbSchmidlin, 1906uncertain value: 10. kJ/mol; Undetermine error; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-3920. ± 20.kJ/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid220.96J/mol*KN/AScott, Guthrie, et al., 1962DH
liquid219.2J/mol*KN/AKelley, 1929DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
157.09298.15Grolier, Roux-Desgranges, et al., 1993DH
155.96298.15Shiohama, Ogawa, et al., 1988DH
159.9303.15Reddy, 1986T = 303.15, 313.15 K.; DH
157.08298.15Roux-Dexgranges, Grolier, et al., 1986DH
158.70298.15Tardajos, Aicart, et al., 1986DH
158.7298.15Stephens and Olson, 1984T = 266 to 318 K. Cp given as 0.4117 cal g-1 C-1.; DH
157.0298.15Grolier, Inglese, et al., 1982DH
157.15298.15Wilhelm, Faradjzadeh, et al., 1982DH
156.0293.15Atalla, El-Sharkawy, et al., 1981DH
157.0294.71Andolenko and Grigor'ev, 1979T = 293 to 373 K. Unsoothed experimental datum given as 1.704 KJ/kg*K.; DH
157.057298.15Fortier and Benson, 1979DH
157.081298.15Fortier and Benson, 1977DH
156.94298.15Wilhelm, Grolier, et al., 1977DH
157.026298.15Fortier and Benson, 1976DH
156.99298.15Holzhauer and Ziegler, 1975T = 165 to 312 K. Cp = 187.43814 - 0.73026493T + 0.0029613602T2 - 2.8661704x10-6T3 J/mol*K.; DH
158.4298.15Pedersen, 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
156.8298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
156.5298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
158.6293.Rastorguev and Ganiev, 1967T = 293 to 373 K.; DH
157.33298.711Hwa and Ziegler, 1966T = 181 to 304 K. Unsmoothed experimental datum.; DH
157.23298.15Scott, Guthrie, et al., 1962T = 10 to 360 K.; DH
166.9324.Swietoslawski and Zielenkiewicz, 1958Mean value 21 to 81 C.; DH
140.295.Tschamler, 1948DH
158.6298.Kurbatov, 1947T = -76 to 60 C, mean Cp, four temperatures.; DH
156.9298.1Zhdanov, 1941T = 5 to 47 C.; DH
157.07298.2Burlew, 1940T = 281 to 383 K.; DH
156.5298.Vold, 1937DH
142.7227.8Aoyama and Kanda, 1935T = 78 to 228 K. Value is unsmoothed experimental datum.; DH
156.5298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
161.9298.15Smith and Andrews, 1931T = 102 to 299 K. Value is unsmoothed experimental datum.; DH
153.0928.444Kelley, 1929T = 14 to 284 K. Value is unsmoothed experimental datum.; DH
151.0293.2Williams and Daniels, 1925T = 20 to 60 C.; DH
153.6303.Willams and Daniels, 1924T = 303 to 343 K. Equation only.; DH
158.2298.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, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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.barAVGN/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
Deltavap37. ± 3.kJ/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub43.1kJ/molBLenchitz and Velicky, 1970AC

Reduced pressure boiling point

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

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.18383.8N/AMajer and Svoboda, 1985 
35.7346.N/ALee and Holder, 1993Based on data from 331. - 496. K.; AC
40.6264.AStephenson and Malanowski, 1987Based on data from 210. - 279. K.; AC
34.4398.AStephenson and Malanowski, 1987Based on data from 383. - 445. K.; AC
33.2455.AStephenson and Malanowski, 1987Based on data from 440. - 531. K.; AC
33.3545.AStephenson and Malanowski, 1987Based on data from 530. - 592. K.; AC
38.9284.AStephenson and Malanowski, 1987Based on data from 273. - 295. K.; AC
37.0323.N/AStephenson and Malanowski, 1987Based on data from 308. - 386. K. See also Forziati, Norris, et al., 1949.; AC
33.5 ± 0.1380.CNatarajan and Viswanath, 1985AC
32.1 ± 0.1403.CNatarajan and Viswanath, 1985AC
29.4 ± 0.1441.CNatarajan and Viswanath, 1985AC
27.1 ± 0.1470.CNatarajan and Viswanath, 1985AC
24.0 ± 0.1505.CNatarajan and Viswanath, 1985AC
35.4333.N/AEubank, Cediel, et al., 1984AC
33.4373.N/AEubank, Cediel, et al., 1984AC
31.4413.N/AEubank, Cediel, et al., 1984AC
28.4453.N/AEubank, Cediel, et al., 1984AC
24.0493.N/AEubank, Cediel, et al., 1984AC
35.4360.N/ARivenq, 1975Based on data from 343. - 383. K.; AC
37.3318.N/AGaw and Swinton, 1968Based on data from 303. - 343. K.; AC
36.9303.N/AVan Ness, Soczek, et al., 1967Based on data from 288. - 348. K.; AC
35.65341.27VScott, Gutherie, et al., 1962low T and vapor flow calorimetry; ALS
37.8278.N/AMilazzo, 1956Based on data from 210. - 293. K.; AC
37.8301.N/AThomson, 1946Based on data from 286. - 362. K.; AC
37.0323.MMWillingham, Taylor, et al., 1945Based on data from 308. - 384. K.; AC
38.8288.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) (kJ/mol)
    Tr = reduced temperature (T / Tc)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 410.53.090.2774591.7Majer and Svoboda, 1985 

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
273.13 - 297.894.236791426.448-45.957Besley and Bottomley, 1974Coefficents calculated by NIST from author's data.
303. - 343.4.082451346.382-53.508Gaw and Swinton, 1968, 2Coefficents calculated by NIST from author's data.
420.00 - 580.004.544361738.1230.394Ambrose, Broderick, et al., 1967Coefficents calculated by NIST from author's data.
308.52 - 384.664.078271343.943-53.773Williamham, Taylor, et al., 1945 
273. - 323.4.141571377.578-50.507Pitzer and Scott, 1943Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.636178.15Scott, Guthrie, et al., 1962DH
6.619177.95Kelley, 1929DH
6.548178.0Ziegler and Andrews, 1942, 2DH
6.61178.Domalski and Hearing, 1996See also Southard and Andrews, 1930.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
37.25178.15Scott, Guthrie, et al., 1962DH
37.20177.95Kelley, 1929DH
36.79178.0Ziegler 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, 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 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
Deltar1599.7 ± 1.9kJ/molD-EAGunion, Gilles, et al., 1992gas phase; Kim, Wenthold, et al., 1999, with LN2 cooling of the ion, gives the same EA; B
Deltar1593. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1587. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar1577. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Deltar1609. ± 30.kJ/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar1564. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1557. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar1579. ± 29.kJ/molIMRBBohme and Young, 1971gas phase; B

C3H9Si+ + Toluene = (C3H9Si+ bullet Toluene)

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

Quantity Value Units Method Reference Comment
Deltar119.kJ/molPHPMSStone and Stone, 1991gas phase; forms pi complex; M
Deltar131.kJ/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms pi complex; M
Deltar111.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar146.J/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° (kJ/mol) T (K) Method Reference Comment
43.1468.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
Deltar36. ± 7.5kJ/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
Deltar84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar0.4 ± 4.2kJ/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° (kJ/mol) T (K) Method Reference Comment
0.4423.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
Deltar120.kJ/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Deltar122.kJ/molPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M
Quantity Value Units Method Reference Comment
Deltar228.J/mol*KPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Deltar228.J/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
Deltar60.7kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
Deltar23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Deltar66.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar120.J/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
Deltar57.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar109.J/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
Deltar50.2kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/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
Deltar185.kJ/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
Deltar33.9 ± 4.2kJ/molEqkBenson and Buss, 1957gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 33. ± 4. kJ/mol; ALS

Chlorine anion + Toluene = (Chlorine anion bullet Toluene)

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

Quantity Value Units Method Reference Comment
Deltar16.7kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.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-33. ± 4.6kJ/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-4. ± 2.kJ/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
Deltar46.0 ± 4.2kJ/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-100. ± 10.kJ/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-41. ± 2.kJ/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
Deltar116. ± 3.kJ/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
Deltar87. ± 2.kJ/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
Deltar61.5 ± 4.2kJ/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
Deltar67.8 ± 4.2kJ/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
Deltar74.9 ± 4.6kJ/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
Deltar222. ± 38.kJ/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 ± 0.6kJ/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
Deltar183. ± 17.kJ/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
Deltar112. ± 3.kJ/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
Deltar64.0 ± 4.6kJ/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
Deltar71.1 ± 4.2kJ/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
Deltar79.9 ± 5.0kJ/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
Deltar176. ± 14.kJ/molRAKLin and Dunbar, 1997RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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, IR Spectrum, References, Notes

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

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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
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]

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]

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]

Roux-Dexgranges, Grolier, et al., 1986
Roux-Dexgranges, G.; Grolier, J.-P.E.; Villamanan, M.A.; Casanova, C., Role of alcohol in microemulsions. III. Volumes and heat capacities in the continuious phase water-n-butanol-toluene of reverse micelles, Fluid Phase Equilibria, 1986, 25, 209-230. [all data]

Tardajos, Aicart, et al., 1986
Tardajos, G.; Aicart, E.; Costas, M.; Patterson, D., Liquid structure and second-order mixing functions for benzene, toluene, and p-xylene with n-alkanes, J. Chem. Soc., Faraday Trans., 1986, 1 82, 2977-2987. [all data]

Stephens and Olson, 1984
Stephens, M.; Olson, J.D., Measurement of excess heat capacities by differential scanning calorimetry, Thermochim. Acta, 1984, 76, 79-85. [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]

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]

Andolenko and Grigor'ev, 1979
Andolenko, R.A.; Grigor'ev, B.A., Investigation of isobaric heat capacity of aromatic hydrocarbons at atmospheric pressure, Iaz. Vyssh. Ucheb. Zaved., Neft i Gaz (11), 1979, 78, 90. [all data]

Fortier and Benson, 1979
Fortier, J.-L.; Benson, G.C., Heat capacities of some binary aromatic hydrocarbon mixtures containing benzene or toluene, J. Chem. Eng. Data, 1979, 24(1), 34-37. [all data]

Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K, J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]

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

Fortier 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]

Holzhauer and Ziegler, 1975
Holzhauer, J.K.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of n-heptane-toluene, methylcyclohexane-toluene, and n-heptane-methylcyclohexane systems, J. Phys. Chem., 1975, 79(6), 590-604. [all data]

Pedersen, Kay, et al., 1975
Pedersen, M.J.; Kay, W.B.; Hershey, H.C., Excess enthalpies, heat capacities, and excess heat capacities as a function of temperature in liquid mixtures of ethanol + toluene, ethanol + hexamethyldisiloxane, and hexamethyldisiloxane + toluene, J. Chem. Thermodynam., 1975, 7, 1107-1118. [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]

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]

Hwa and Ziegler, 1966
Hwa, S.C.P.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol-methylcyclohexane and ethanol-toluene systems, J. Phys. Chem., 1966, 70(8), 2572-2593. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heats of binary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 367-369. [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]

Vold, 1937
Vold, R.D., A calorimetric test of the solubility equation for regular solutions, J. Am. Chem. Soc., 1937, 59, 1515-1521. [all data]

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

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]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]

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

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Scott, Guthrie, et al., 1962, 2
Scott, D.W.; Guthrie, G.B.; Messerly, J.F.; Todd, S.S.; Berg, W.T.; Hossenlopp, I.A.; McCullough, J.P., Toluene: Thermodynamic Propoerties, Molecular Vibrations, and Internal Rotation, J. Phys. Chem., 1962, 66, 911-4. [all data]

Ziegler and Andrews, 1942
Ziegler, W.T.; Andrews, D.H., The heat capacity of benzene-d6, J. Am. Chem. Soc., 1942, 64, 2482. [all data]

Stull, 1937
Stull, D.R., A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp., J. Am. Chem. Soc., 1937, 59, 2726. [all data]

Kelley, 1929, 2
Kelley, K.K., The heat capacity of toluene from 14 deg K to 298 deg K. the entropy and the free energy of formation., J. Am. Chem. Soc., 1929, 51, 2738. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Chirico and Steele, 1994
Chirico, R.D.; Steele, W.V., Reconciliation of Calorimetrically and Spectroscopically Derived Methyl Benzene. The Importance of the Third Virial Coefficient, Ind. Eng. Chem. Res., 1994, 33, 157-67. [all data]

Goodwin, 1989
Goodwin, R.D., Toluene thermophysical properties from 178 to 800 K at pressures to 1000 Bar, J. Phys. Chem. Ref. Data, 1989, 18, 1565-636. [all data]

Steele, Chirico, et al., 1988
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Smith, N.K., , Report, NIPPR-395, 1988. [all data]

Simon, 1957
Simon, M., Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Critical Constants and Straight-Line Diameters of Ten Hydrocarbons, Bull. Soc. Chim. Belg., 1957, 66, 375-81. [all data]

Lenchitz and Velicky, 1970
Lenchitz, Charles; Velicky, Rodolf W., Vapor pressure and heat of sublimation of three nitrotoluenes, J. Chem. Eng. Data, 1970, 15, 3, 401-403, https://doi.org/10.1021/je60046a022 . [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Lee and Holder, 1993
Lee, Chang Ha; Holder, Gerald D., Vapor-liquid equilibria in the systems toluene/naphthalene and cyclohexane/naphthalene, J. Chem. Eng. Data, 1993, 38, 2, 320-323, https://doi.org/10.1021/je00010a034 . [all data]

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

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

Natarajan and Viswanath, 1985
Natarajan, Govindarajan; Viswanath, Dabir S., Enthalpy of vaporization and vapor pressure of benzene, toluene, p-xylene, and tetralin between 1 and 16 bar, J. Chem. Eng. Data, 1985, 30, 2, 137-140, https://doi.org/10.1021/je00040a001 . [all data]

Eubank, Cediel, et al., 1984
Eubank, P.T.; Cediel, L.E.; Holste, J.C.; Hall, K.R., Enthalpies for toluene and methylcyclohexane in the fluid state, J. Chem. Eng. Data, 1984, 29, 389-393. [all data]

Rivenq, 1975
Rivenq, F., Bull. Soc. Chim. Fr., 1975, 1, 2433. [all data]

Gaw and Swinton, 1968
Gaw, W.J.; Swinton, F.L., Thermodynamic properties of binary systems containing hexafluorobenzene. Part 4.?Excess Gibbs free energies of the three systems hexafluorobenzene + benzene, touene, and p-xylene, Trans. Faraday Soc., 1968, 64, 2023, https://doi.org/10.1039/tf9686402023 . [all data]

Van Ness, Soczek, et al., 1967
Van Ness, Hendrick C.; Soczek, C.A.; Peloquin, G.L.; Machado, R.L., Thermodynamic excess properties of three alcohol-hydrocarbon systems, J. Chem. Eng. Data, 1967, 12, 2, 217-224, https://doi.org/10.1021/je60033a017 . [all data]

Scott, Gutherie, et al., 1962
Scott, D.W.; Gutherie, 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. [all data]

Milazzo, 1956
Milazzo, G., Ann. Chim. (Rome), 1956, 46, 1105. [all data]

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

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

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

Besley and Bottomley, 1974
Besley, L.M.; Bottomley, G.A., Vapour Pressure of Toluene from 273.15 to 298.15 K, J. Chem. Thermodyn., 1974, 6, 6, 577-580, https://doi.org/10.1016/0021-9614(74)90045-7 . [all data]

Gaw and Swinton, 1968, 2
Gaw, W.J.; Swinton, F.L., Thermodynamic Properties of Binary Systems Containing Hexafluorobenzene. Part 3. Excess Gibbs Free Energy of the System Hexafluorobenzene + Cyclohexane, Trans. Faraday Soc., 1968, 64, 637-647, https://doi.org/10.1039/tf9686400637 . [all data]

Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R., The Vapour Pressures Above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons, J. Chem. Soc. A:, 1967, 633-641, https://doi.org/10.1039/j19670000633 . [all data]

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

Ziegler and Andrews, 1942, 2
Ziegler, W.T.; Andrews, D.H., The heat capacity of benzene-d6, J. Am. Chem. Soc., 1942, 64, 2482-2485. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Southard and Andrews, 1930
Southard, John C.; Andrews, Donald H., The heat capacities of organic compounds at low temperatures. iii. an adiabatic calorimeter for heat capacities at low temperatures, Journal of the Franklin Institute, 1930, 209, 3, 349-360, https://doi.org/10.1016/S0016-0032(30)90040-3 . [all data]

Gunion, Gilles, et al., 1992
Gunion, R.F.; Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of the Phenide, Benzyl, and Phenoxide Anions., Int. J. Mass Spectrom. Ion Proc., 1992, 117, 601, https://doi.org/10.1016/0168-1176(92)80115-H . [all data]

Kim, Wenthold, et al., 1999
Kim, J.B.; Wenthold, P.G.; Lineberger, W.C., Ultraviolet photoelectron spectroscopy of o-, m-, and p-halobenzyl anions, J. Phys. Chem. A, 1999, 103, 50, 10833-10841, https://doi.org/10.1021/jp992817o . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Bohme and Young, 1971
Bohme, D.K.; Young, L.B., Electron affinities from thermal proton transfer reactions: C6H5 and C6H5CH2, Can. J. Chem., 1971, 49, 2918. [all data]

Stone and Stone, 1991
Stone, J.M.; Stone, J.A., A High Pressure Mass Spectrometric Study of the Binding of (CH3)3Si+ and (CH3)3C+ to Toluene and Benzene, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 247, https://doi.org/10.1016/0168-1176(91)85107-W . [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Ernstberger, Krause, et al., 1990
Ernstberger, B.; Krause, H.; Kiermeier, A.; Neusser, H.J., Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer, J. Chem. Phys., 1990, 92, 9, 5285, https://doi.org/10.1063/1.458603 . [all data]

Ruhl, Bisling, et al., 1986
Ruhl, E.; Bisling, P.G.F.; Brutschy, B.; Baumgartel, H., Photoionization of Aromatic van der Waals Complexes in a Supersonic Jet, Chem. Phys. Lett., 1986, 126, 3-4, 232, https://doi.org/10.1016/S0009-2614(86)80075-6 . [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S., Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes, J. Am. Chem. Soc., 1981, 103, 2791. [all data]

Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Benson and Buss, 1957
Benson, S.W.; Buss, J.H., The thermodynamics of bromination of toluene and the heat of formation of the benzyl radical, J. Phys. Chem., 1957, 61, 104-109. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Graham, Nichol, et al., 1955
Graham, W.S.; Nichol, R.J.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. Part III. Bond strengths based on the reactions: (a) Ph·CH2I + HI=Ph·CH3 + I2 and (b) PhI + HI=PhH + I2, J. Chem. Soc., 1955, 115-121. [all data]

Ashcroft, Carson, et al., 1963
Ashcroft, S.J.; Carson, A.S.; Pedley, J.B., Thermochemistry of reductions caused by lithium aluminium hydride. Part 2.-The heats of formation of benzyl bromide, benzyl iodide and the benzyl radical, Trans. Faraday Soc., 1963, 59, 2713-2717. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Bartmess and Griffith, 1990
Bartmess, J.E.; Griffith, S.S., Tautomerization energetics of benzoannelated toluenes, J. Am. Chem. Soc., 1990, 112, 2931-2936. [all data]

Amunugama and Rodgers, 2002
Amunugama, R.; Rodgers, M.T., Influence of substituents on cation-pi interactions. 1. Absolute binding energies of alkali metal cation-toluene complexes determined by threshold collision-induced dissociation and theoretical studies, J. Phys. Chem. A, 2002, 106, 22, 5529, https://doi.org/10.1021/jp014307b . [all data]

Lin and Dunbar, 1997
Lin, C.-Y.; Dunbar, R.C., Radiative Association Kinetics and Binding Energies of Chromium Ions with Benzene and Benzene Derivatives, Organometallics, 1997, 16, 12, 2691, https://doi.org/10.1021/om960949n . [all data]

Tsvetkov, Rozhnov, et al., 1985
Tsvetkov, V.F.; Rozhnov, A.M.; Nesterova, T.N., Study of the equilibrium of isomerization and transalkylation of isopropyltoluenes, Neftekhimiya, 1985, 53-57. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References