Benzene

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, 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
Δfliquid12. ± 0.2kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δfliquid11.70 ± 0.13kcal/molCcbGood and Smith, 1969ALS
Δfliquid11.72 ± 0.12kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfliquid11.0kcal/molCcbLandrieu, Baylocq, et al., 1929ALS
Quantity Value Units Method Reference Comment
Δcliquid-781. ± 4.kcal/molAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
liquid41.410cal/mol*KN/AOliver, Eaton, et al., 1948DH
liquid41.90cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity Value Units Method Reference Comment
solid,1 bar10.89cal/mol*KN/AAhlberg, Blanchard, et al., 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
32.431298.15Grolier, Roux-Desgranges, et al., 1993DH
32.48298.5Czarnota, 1991p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
32.414298.15Lainez, Rodrigo, et al., 1989DH
32.177298.15Shiohama, Ogawa, et al., 1988DH
32.445298.15Grolier, Roux-Desgranges, et al., 1987DH
32.173293.15Kalali, Kohler, et al., 1987T = 293.15, 313.15 K.; DH
32.4348298.15Tanaka, 1987DH
33.44322.05Naziev, Bashirov, et al., 1986T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
32.84303.15Reddy, 1986T = 303.15, 313.15 K.; DH
32.519298.15Ogawa and Murakami, 1985DH
32.4374298.15Tanaka, 1985DH
32.562298.15Gorbunova, Simonov, et al., 1983T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH
32.62300.Gorbunova, Grigoriev, et al., 1982T = 280 to 353 K. Data also given by equation.; DH
32.43298.15Grolier, Inglese, et al., 1982T = 298.15 K.; DH
32.443298.15Tanaka, 1982Temperatures 293.15, 298.15, 303.15 K.; DH
32.409298.15Wilhelm, Faradjzadeh, et al., 1982DH
31.93293.15Atalla, El-Sharkawy, et al., 1981DH
32.481298.15Vesely, Zabransky, et al., 1979DH
32.412298.15Grolier, Wilhelm, et al., 1978DH
32.481298.15Vesely, Svoboda, et al., 1977T = 298 to 318 K.; DH
32.409298.15Wilhelm, Grolier, et al., 1977DH
32.447298.15Fortier, Benson, et al., 1976DH
32.4474298.15Fortier and Benson, 1976DH
32.43298.15Rajagopal and Subrahmanyam, 1974T = 298.15 to 323.15 K.; DH
32.10298.Deshpande and Bhatagadde, 1971T = 298 to 318 K.; DH
32.48298.15Hyder Khan and Subrahmanyam, 1971T = 298; 313 K.; DH
32.48298.Subrahmanyam and Khan, 1969DH
32.36298.Recko, 1968T = 24 to 40°C, equation only.; DH
31.1298.Pacor, 1967DH
32.17293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
32.337300.Findenegg, Gruber, et al., 1965DH
32.261298.Rabinovich and Nikolaev, 1962T = 10 to 35°C.; DH
32.29316.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 66°C.; DH
32.60303.Duff and Everett, 1956T = 303 to 353 K.; DH
32.321298.Staveley, Tupman, et al., 1955T = 288 to 347 K.; DH
7.60293.Sieg, Crtzen, et al., 1951DH
32.519298.15Oliver, Eaton, et al., 1948T = 13 to 337 K.; DH
28.4295.Tschamler, 1948DH
31.91298.Kurbatov, 1947T = 9 to 80°C, mean Cp, five temperatures.; DH
32.50298.1Zhdanov, 1941T = 8 to 46°C.; DH
32.371298.2Burlew, 1940T = 281 to 353 K.; DH
31.41287.8Kolosovskii and Udovenko, 1934DH
31.41287.8de Kolossowsky and Udowenko, 1933DH
31.41298.15Ferguson and Miller, 1933T = 293 to 323 K. Data calculated from equation.; DH
32.29298.1Richards and Wallace, 1932T = 293 to 333 K.; DH
34.314323.15Fiock, Ginnings, et al., 1931T = 50 to 110°C.; DH
32.29300.0Huffman, Parks, et al., 1930T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
31.60298.Andrews, Lynn, et al., 1926T = -18 to 110°C.; DH
31.81293.2Williams and Daniels, 1925T = 20 to 60°C.; DH
32.00303.Willams and Daniels, 1924T = 303 to 333 K. Equation only.; DH
32.79298.Dejardin, 1919T = 24 to 50°C.; DH
31.91298.von Reis, 1881T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
11.4490.Ahlberg, Blanchard, et al., 1937T = 4 to 93 K.; DH
23.4223.9Aoyama and Kanda, 1935T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
28.30273.Maass and Walbauer, 1925T = 93 to 273 K.; DH

Phase change data

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

Quantity Value Units Method Reference Comment
Tboil353.3 ± 0.1KAVGN/AAverage of 147 out of 183 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus278.64 ± 0.08KAVGN/AAverage of 57 out of 69 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple278.5 ± 0.6KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc562.0 ± 0.8KAVGN/AAverage of 36 out of 41 values; Individual data points
Quantity Value Units Method Reference Comment
Pc48.3 ± 0.4atmAVGN/AAverage of 24 out of 26 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.25 ± 0.03l/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ρc3.9 ± 0.2mol/lAVGN/AAverage of 12 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap8.10 ± 0.03kcal/molAVGN/AAverage of 10 out of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub10.6kcal/molTE,MEKruif, 1980Based on data from 183. to 197. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.342353.3N/AMajer and Svoboda, 1985 
7.93320.N/ALubomska, Banas, et al., 2002Based on data from 305. to 345. K.; AC
8.51258. to 313.GCLiu and Dickhut, 1994AC
8.01311.EBAmbrose, Ewing, et al., 1990Based on data from 296. to 377. K.; AC
7.98307.CDong, Lin, et al., 1988AC
7.91314.CDong, Lin, et al., 1988AC
7.74324.CDong, Lin, et al., 1988AC
7.62332.CDong, Lin, et al., 1988AC
7.50344.CDong, Lin, et al., 1988AC
7.31353.CDong, Lin, et al., 1988AC
8.22294.AStephenson and Malanowski, 1987Based on data from 279. to 377. K.; AC
7.53368.AStephenson and Malanowski, 1987Based on data from 353. to 422. K.; AC
7.22435.AStephenson and Malanowski, 1987Based on data from 420. to 502. K.; AC
7.24516.AStephenson and Malanowski, 1987Based on data from 501. to 562. K.; AC
7.36352.N/ANatarajan, 1983AC
7.29361.N/ANatarajan, 1983AC
7.22366.N/ANatarajan, 1983AC
8.44343.N/ATsonopoulos and Wilson, 1983Based on data from 313. to 373. K.; AC
7.4350.N/ARao and Viswanath, 1977AC
7.89 ± 0.02313.CSvoboda, Veselý, et al., 1973AC
7.70 ± 0.02328.CSvoboda, Veselý, et al., 1973AC
7.60 ± 0.02333.CSvoboda, Veselý, et al., 1973AC
7.50 ± 0.02343.CSvoboda, Veselý, et al., 1973AC
7.39 ± 0.02353.CSvoboda, Veselý, et al., 1973AC
7.79 ± 0.1313.DSCMita, Imai, et al., 1971AC
7.8 ± 0.1328.DSCMita, Imai, et al., 1971AC
7.55 ± 0.1345.DSCMita, Imai, et al., 1971AC
8.15299.N/AForziati, Norris, et al., 1949Based on data from 284. to 354. K.; AC
8.15293.N/AYarym-Agaev, Fedos'ev, et al., 1949AC
8.15297.N/AThomson, 1946Based on data from 282. to 354. K.; AC
7.46294.N/AScott and Brickwedde, 1945AC
8.15303.MMWillingham, Taylor, et al., 1945Based on data from 288. to 354. K.; AC
7.98313.EBSmith, 1941Based on data from 298. to 373. K.; AC
8.25288.N/AStuckey and Saylor, 1940Based on data from 273. to 348. K.; AC

Enthalpy of vaporization

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

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Temperature (K) 293. to 469.
A (kcal/mol) 11.33
α 0.1231
β 0.3602
Tc (K) 562.1
ReferenceMajer and Svoboda, 1985

Antoine Equation Parameters

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

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

Enthalpy of sublimation

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

Enthalpy of fusion

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

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.461278.69Oliver, Eaton, et al., 1948DH
8.506278.65Ziegler and Andrews, 1942DH
7.96279.1Smith, 1979DH
7.67278.8Pacor, 1967DH
8.411278.6Huffman, Parks, et al., 1930DH
8.48278.55Andrews, Lynn, et al., 1926DH
8.58278.64Maass and Walbauer, 1925DH

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


Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.24378 ± 0.00007eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)179.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity173.4kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

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

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
172.5Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
9.24384 ± 0.00006TENemeth, Selzle, et al., 1993LL
9.24372 ± 0.00005TEChewter, Sander, et al., 1987LBLHLM
9.20EIStahl and Maquin, 1984LBLHLM
9.2459 ± 0.0002SGrubb, Whetten, et al., 1984LBLHLM
9.23 ± 0.03EIArimura and Yoshikawa, 1984LBLHLM
9.25PEKlasinc, Kovac, et al., 1983LBLHLM
9.23PECetinkaya, Lappert, et al., 1983LBLHLM
9.25PEKimura, Katsumata, et al., 1981LLK
9.240 ± 0.002LSDuncan, Dietz, et al., 1981LLK
9.44EIClare and Sowerby, 1981LLK
9.25PEBieri and Asbrink, 1980LLK
9.22PESell, Mintz, et al., 1978LLK
9.24PEMattsson, Karlsson, et al., 1977LLK
9.25 ± 0.02PEBieri, Burger, et al., 1977LLK
9.25 ± 0.07EISelim, 1976LLK
9.24PEBehan, Johnstone, et al., 1976LLK
9.70EIBaldwin, Loudon, et al., 1976LLK
9.25CTSPitt, 1973LLK
9.2 ± 0.1EITajima, Shimizu, et al., 1972LLK
9.26 ± 0.06EIFinney and Harrison, 1972LLK
9.27PEChizhov, Kleimenov, et al., 1972LLK
9.24 ± 0.01PISergeev, Akopyan, et al., 1970RDSH
9.25 ± 0.01PIDemeo and El-Sayed, 1970RDSH
9.36 ± 0.05EIBuchs, 1970RDSH
9.241 ± 0.001PEAsbrink, Lindholm, et al., 1970RDSH
9.241TEPeatman, Borne, et al., 1969RDSH
9.24 ± 0.01PEDewar and Worley, 1969RDSH
9.25 ± 0.01PIMomigny, Goffart, et al., 1968RDSH
9.20 ± 0.04EIBock, Seidl, et al., 1968RDSH
9.24PEBaker, May, et al., 1968RDSH
9.25PEBaker, Brundle, et al., 1968RDSH
9.25 ± 0.02PEClark and Frost, 1967RDSH
9.26 ± 0.02EINounou, 1966RDSH
9.246 ± 0.005PIBrehm, 1966RDSH
9.241 ± 0.006PINicholson, 1965RDSH
9.24 ± 0.01PIDibeler and Reese, 1964RDSH
9.25PEAl-Joboury and Turner, 1964RDSH
9.2PITerenin, 1961RDSH
9.248SEl-Sayed, Kaaba, et al., 1961RDSH
9.247 ± 0.002SWilkinson, 1956RDSH
9.25 ± 0.01PIWatanabe, 1954RDSH
9.8 ± 0.1EIHustrulid, Kusch, et al., 1938RDSH
9.242 ± 0.005SPrice and Wood, 1935RDSH
9.23PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
9.25PEKovac, Mohraz, et al., 1980Vertical value; LLK
9.25PEKaim, Tesmann, et al., 1980Vertical value; LLK
9.22PESell and Kupperman, 1978Vertical value; LLK
9.23PEKobayashi, 1978Vertical value; LLK
9.3PEKlasinc, Novak, et al., 1978Vertical value; LLK
9.24 ± 0.02PESchmidt, 1977Vertical value; LLK
9.25 ± 0.05PEGower, Kane-Maguire, et al., 1977Vertical value; LLK
9.24PEBock, Kaim, et al., 1977Vertical value; LLK
9.24PEClar and Schmidt, 1976Vertical value; LLK
9.23PEKobayashi and Nagakura, 1975Vertical value; LLK
9.24PEBischof, Dewar, et al., 1974Vertical value; LLK
9.24PESchafer and Schweig, 1972Vertical value; LLK
9.25 ± 0.03PEKlessinger, 1972Vertical value; LLK
9.24PEBock, Wagner, et al., 1972Vertical value; LLK
9.2PECarlson and Anderson, 1971Vertical value; LLK
9.24PEBock and Fuss, 1971Vertical value; LLK
9.24PEGleiter, Heilbronner, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+28.2 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
C2H2+19. ± 0.4?EILifshitz and Reuben, 1969RDSH
C2H2+18.6?EINatalis and Franklin, 1965RDSH
C2H2+32.6 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
C2H3+19. ± 0.4?EILifshitz and Reuben, 1969RDSH
C3H3+13.43?LSKuhlewind, Kiermeier, et al., 1986LBLHLM
C3H3+15.34 ± 0.06C3H3EISelim, 1976LLK
C3H3+16.90C3H3PEEland, Frey, et al., 1976LLK
C3H3+13.79C3H3PIRosenstock, Larkins, et al., 1973LLK
C3H3+14.7 ± 0.1?EILifshitz and Reuben, 1969RDSH
C4H2+17.5 ± 0.3?EILifshitz and Reuben, 1969RDSH
C4H3+18.48 ± 0.07H+C2H2EISelim, 1976LLK
C4H3+17.6 ± 0.1?EILifshitz and Reuben, 1969RDSH
C4H4+13.40C2H2LSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C4H4+13.9 ± 0.1C2H2EIRosenstock, McCulloh, et al., 1977LLK
C4H4+14.17 ± 0.08C2H2PIRosenstock, McCulloh, et al., 1977LLK
C4H4+14.85C2H2PEEland, Frey, et al., 1976LLK
C4H4+13.85C2H2PIRosenstock, Larkins, et al., 1973LLK
C4H4+14.1C2H2EIHickling and Jennings, 1970RDSH
C4H4+14.5 ± 0.2C2H2EILifshitz and Reuben, 1969RDSH
C5H3+15.7 ± 0.1CH3EILifshitz and Reuben, 1969RDSH
C6H+29. ± 2.?EILifshitz and Reuben, 1969RDSH
C6H4+12.93H2LSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C6H4+14.14 ± 0.08H2EISelim, 1976LLK
C6H4+12.94H2PIRosenstock, Larkins, et al., 1973LLK
C6H4+14.04 ± 0.06H2EIBentley, Johnstone, et al., 1973LLK
C6H4+14.09 ± 0.07H2EINatalis and Franklin, 1965RDSH
C6H5+13.12 ± 0.05HEVALKlippenstein, Faulk, et al., 1993T = 0K; LL
C6H5+12.90HLSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C6H5+13.7 ± 0.1HEIRosenstock, McCulloh, et al., 1977LLK
C6H5+13.78 ± 0.08HPIRosenstock, McCulloh, et al., 1977LLK
C6H5+14.56 ± 0.07HEISelim, 1976LLK
C6H5+12.94HPIRosenstock, Larkins, et al., 1973LLK
C6H5+13.97 ± 0.06HEIBentley, Johnstone, et al., 1973LLK
C6H5+14.1 ± 0.1HEIGross, 1972LLK
C6H5+13.80 ± 0.03HPISergeev, Akopyan, et al., 1970RDSH
C6H5+14.1 ± 0.1HEILifshitz and Reuben, 1969RDSH
C6H5+13.8 ± 0.1HPIBrehm, 1966RDSH
C6H71-43-24+14.2 ± 0.2H2EILifshitz and Reuben, 1969RDSH

De-protonation reactions

C6H5- + Hydrogen cation = Benzene

By formula: C6H5- + H+ = C6H6

Quantity Value Units Method Reference Comment
Δr401.22 ± 0.50kcal/molG+TSDavico, Bierbaum, et al., 1995gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δr401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
Δr400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
Δr398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr392.40 ± 0.40kcal/molIMREDavico, Bierbaum, et al., 1995gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δr390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Δr390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
Δr389.2 ± 5.5kcal/molIMRBBohme and Young, 1971gas phase; B

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114388

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References

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

Good and Smith, 1969
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Notes

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