Benzonitrile

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Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Δfgas219.0kJ/molN/ALebedev, Bykova, et al., 1985Value computed using ΔfHliquid° value of 163.2±1.5 kj/mol from Lebedev, Bykova, et al., 1985 and ΔvapH° value of 55.8 kj/mol from Evans and Skinner, 1959.; DRB
Δfgas219.kJ/molCcbEvans and Skinner, 1959ALS

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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:
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
Δfliquid163.2 ± 1.5kJ/molCcbLebedev, Bykova, et al., 1985see Lebedev, Bykova, et al., 1984; ALS
Δfliquid163.2 ± 1.5kJ/molCcbEvans and Skinner, 1959ALS
Quantity Value Units Method Reference Comment
Δcliquid-3632.3 ± 1.5kJ/molCcbLebedev, Bykova, et al., 1985see Lebedev, Bykova, et al., 1984; ALS
Δcliquid-3632.3kJ/molCcbEvans and Skinner, 1959ALS
Quantity Value Units Method Reference Comment
liquid209.1J/mol*KN/ALebedev, Bykova, et al., 1985, 2DH
liquid209.1J/mol*KN/ALebedev, Bykova, et al., 1984, 2DH
liquid209.1J/mol*KN/ABykova, Lebedev, et al., 1983DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
161.1298.15Mirzaliev, Shakhuradov, et al., 1987T = 273 to 453 K. Unsmoothed experimental datum given as 1.496 kJ/kg*K at 293 K. Cp(liq) = 1.2396 + 8.7x10-5T/K + 3.3333x10-6T2/K2 kJ/kg*K (273 to 453 K).; DH
166.24298.15Lainez, Rodrigo, et al., 1985DH
165.2298.15Lebedev, Bykova, et al., 1985, 2T = 5 to 330 K.; DH
166.52298.15Tanaka, Nakamichi, et al., 1985DH
165.2298.15Lebedev, Bykova, et al., 1984, 2T = 25 to 330 K.; DH
165.2298.15Bykova, Lebedev, et al., 1983T = 5 to 330 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil464. ± 1.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus263. ± 20.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple260.33KN/ALebedev, Bykova, et al., 1985, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple260.33KN/ALebedev, Bykova, et al., 1984, 3Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple260.33KN/ABykova, Lebedev, et al., 1983, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc701. ± 4.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc42.15barN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 0.04 bar; TRC
Pc42.20barN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 1.0132 bar; TRC
Pc42.1512barN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5199 bar; TRC
Pc42.1512barN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5199 bar; TRC
Quantity Value Units Method Reference Comment
ρc3.037mol/lN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap55.48kJ/molVEvans and Skinner, 1959ALS
Δvap55.8kJ/molN/AEvans and Skinner, 1959DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
342.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
49.1316.AStephenson and Malanowski, 1987Based on data from 301. to 464. K. See also Stull, 1947.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
301.4 to 463.84.854012110.572-28.331Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
10.980260.33Lebedev, Bykova, et al., 1985, 2DH
10.980260.332Lebedev, Bykova, et al., 1984, 2DH
10.980260.33Bykova, Lebedev, et al., 1983DH
10.98260.3Lebedev, Bykova, et al., 1985AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
42.16260.33Lebedev, Bykova, et al., 1985, 2DH
42.16260.332Lebedev, Bykova, et al., 1984, 2DH
42.16260.33Bykova, Lebedev, et al., 1983DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

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

Bromine anion + Benzonitrile = (Bromine anion • Benzonitrile)

By formula: Br- + C7H5N = (Br- • C7H5N)

Quantity Value Units Method Reference Comment
Δr61.5 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

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

Chlorine anion + Benzonitrile = (Chlorine anion • Benzonitrile)

By formula: Cl- + C7H5N = (Cl- • C7H5N)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
41.8300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M

C7H4N- + Hydrogen cation = Benzonitrile

By formula: C7H4N- + H+ = C7H5N

Quantity Value Units Method Reference Comment
Δr1603. ± 10.kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Quantity Value Units Method Reference Comment
Δr1567. ± 8.4kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B

C6H7N+ + Benzonitrile = (C6H7N+ • Benzonitrile)

By formula: C6H7N+ + C7H5N = (C6H7N+ • C7H5N)

Quantity Value Units Method Reference Comment
Δr81.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr88.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
51.5338.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C11H10+ + Benzonitrile = (C11H10+ • Benzonitrile)

By formula: C11H10+ + C7H5N = (C11H10+ • C7H5N)

Quantity Value Units Method Reference Comment
Δr61.5kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
29.301.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

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

By formula: NO- + C7H5N = (NO- • C7H5N)

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

CH6N+ + Benzonitrile = (CH6N+ • Benzonitrile)

By formula: CH6N+ + C7H5N = (CH6N+ • C7H5N)

Quantity Value Units Method Reference Comment
Δr123.kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr131.J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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
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 C7H5N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.73 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)811.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity780.9kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.26 ± 0.10ECDZlatkis, Lee, et al., 1983B
0.256 ± 0.017ECDWentworth, Kao, et al., 1975B

Ionization energy determinations

IE (eV) Method Reference Comment
9.7316 ± 0.0002TEAraki and Sato, 1996LL
9.6PEKlasinc, Kovac, et al., 1983LBLHLM
10.13 ± 0.03EIBaldwin, 1979LLK
9.69PEBehan, Johnstone, et al., 1976LLK
9.62PERabalais and Colton, 1973LLK
9.7EIMcLafferty, Bente, et al., 1973LLK
9.77EICooks, Bertrand, et al., 1973LLK
9.71 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
9.79PEKlasinc, Kovac, et al., 1983Vertical value; LBLHLM
9.8PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
9.71PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.71PEPalmer, Moyes, et al., 1980Vertical value; LLK
9.70PENeijzen and DeLange, 1978Vertical value; LLK
9.72PEKobayashi and Nagakura, 1974Vertical value; LLK
9.70PEGriebel, Hohlneicher, et al., 1974Vertical value; LLK
10.02PEBaker, May, et al., 1968Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4+13.8 ± 0.1HCNEIBurgers and Holmes, 1982LBLHLM
C6H4+12.54 ± 0.03HCNEIMaccoll and Mathur, 1981LLK
C6H4+12.64 ± 0.03HCNPIPECORosenstock, Stockbauer, et al., 1980LLK
C6H4+13.38 ± 0.03HCNEIBaldwin, 1979LLK
C6H4+13.80 ± 0.06HCNEIBentley, Johnstone, et al., 1973LLK
C6H4+13.9 ± 0.1HCNEIGross, 1972LLK
C6H4+14.60HCNEIHowe and Williams, 1969RDSH
C6H5+13.52 ± 0.05CNEIBurgers and Holmes, 1984LBLHLM
C6H5+13.8CNEIBurgers and Holmes, 1984LBLHLM

De-protonation reactions

C7H4N- + Hydrogen cation = Benzonitrile

By formula: C7H4N- + H+ = C7H5N

Quantity Value Units Method Reference Comment
Δr1603. ± 10.kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Quantity Value Units Method Reference Comment
Δr1567. ± 8.4kJ/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B

Ion clustering data

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

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 + Benzonitrile = (Bromine anion • Benzonitrile)

By formula: Br- + C7H5N = (Br- • C7H5N)

Quantity Value Units Method Reference Comment
Δr61.5 ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26. ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

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

CH6N+ + Benzonitrile = (CH6N+ • Benzonitrile)

By formula: CH6N+ + C7H5N = (CH6N+ • C7H5N)

Quantity Value Units Method Reference Comment
Δr123.kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr131.J/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

C6H7N+ + Benzonitrile = (C6H7N+ • Benzonitrile)

By formula: C6H7N+ + C7H5N = (C6H7N+ • C7H5N)

Quantity Value Units Method Reference Comment
Δr81.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr88.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
51.5338.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C11H10+ + Benzonitrile = (C11H10+ • Benzonitrile)

By formula: C11H10+ + C7H5N = (C11H10+ • C7H5N)

Quantity Value Units Method Reference Comment
Δr61.5kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
29.301.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Chlorine anion + Benzonitrile = (Chlorine anion • Benzonitrile)

By formula: Cl- + C7H5N = (Cl- • C7H5N)

Quantity Value Units Method Reference Comment
Δr66.9kJ/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
41.8300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M

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

By formula: NO- + C7H5N = (NO- • C7H5N)

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

References

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

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

Lebedev, Bykova, et al., 1985
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Chernomordik, Yu.A.; Kurapov, A.S.; Sergeev, V.A., Thermodynamic study of benzonitrile, the process of its cocyclotrimerization with phenylacetylene, and the 2,4,6-triphenylpyridine that is formed, in the interval 0-330°K, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1985, 274-279. [all data]

Evans and Skinner, 1959
Evans, F.W.; Skinner, H.A., The heats of combustion of organic compounds of nitrogen Part 2.-n-Propyl, isopropyl and phenyl cyandies, Trans. Faraday Soc., 1959, 55, 255-259. [all data]

Lebedev, Bykova, et al., 1984
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V., Thermodynamics of benzonitrile, of its cyclotrimerization process, and of the triphenyl-s-triazine formed in the range 0-300°K, J. Gen. Chem. USSR, 1984, 54, 1209-1214. [all data]

Lebedev, Bykova, et al., 1985, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Chernomordik, Yu.A.; Kurapov, A.S.; Sergeev, V.A., Thermodynamic study of benzonitrile, the process of its cocyclotrimerization with phenylacetylene, and the resulting 2,4,6-triphenylpyridine at 0-300 K, Izv. Akad. Nauk SSSR, Ser. Khim., 1985, (2), 301-306. [all data]

Lebedev, Bykova, et al., 1984, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V., Thermodynamics of benzonitrile, of its cyclotrimerization process, and of the triphenyl-s-triazine formed in the range 0-330°K, Zhur. Obsch. Khim., 1984, 54, 1352-1358. [all data]

Bykova, Lebedev, et al., 1983
Bykova, T.A.; Lebedev, B.V.; Tarasov, E.N., Thermodynamics of benzonitrile in the range, 1983, Termodin. [all data]

Mirzaliev, Shakhuradov, et al., 1987
Mirzaliev, A.A.; Shakhuradov, Sh.G.; Guseinov, S.O., Investigation of the isobaric heat capacity of nitriles at different temperatures, Izv. Vyssh. Ucheb. Zaved., Neft i Gaz, 1987, 30(4), 55-58. [all data]

Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E., Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions, Calorim. Anal. Therm., 1985, 16, 153-158. [all data]

Tanaka, Nakamichi, et al., 1985
Tanaka, R.; Nakamichi, T.; Murakami, S., Molar excess heat capacities and volumes for mixtures of benzomitrile with cyclohexane between 10 and 45°C, J. Solution Chem., 1985, 14(11), 795-803. [all data]

Lebedev, Bykova, et al., 1984, 3
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V., Thermodynamics of Benzonitrile, Its Cyclotrimerization and the Resulting Triphenyltriazine in the 0-330 K Range, Zh. Obshch. Khim., 1984, 54, 1352. [all data]

Bykova, Lebedev, et al., 1983, 2
Bykova, T.A.; Lebedev, B.V.; Tarasov, E.N., Thermodynamics of benzonitrile in the range 0-330 K, Termodin. Org. Soedin., 1983, 48-52. [all data]

Steele, Chirico, et al., 1994
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K., DIPPR project 871. Determination of ideal-gas enthalpies of formation for key compounds. The 1990 project results, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 188-215. [all data]

Guye and Mallet, 1902
Guye, P.A.; Mallet, E., Critical Constant and Molecular Complexity of Several Organic Compds., C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]

Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E., Measurement of Critical Constants, Arch. Sci. Phys. Nat., 1902, 13, 274-296. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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]

Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A., Carbon Acidities of Aromatic Compounds, J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003 . [all data]

Kiefer, Zhang, et al., 1997
Kiefer, J.H.; Zhang, Q.; Kern, R.D.; Yao, J.; Jursic, B., Pyrolysis of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine, J. Phys. Chem. A, 1997, 101, 38, 7061, https://doi.org/10.1021/jp970211z . [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]

El-Shall and Meot-Ner (Mautner), 1987
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Notes

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