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Buckminsterfullerene

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Gas phase thermochemistry 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 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
Deltafgas2560. ± 100.kJ/molAVGN/AAverage of 6 values; Individual data points

Condensed phase thermochemistry data

Go To: Top, Gas 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 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
Deltafsolid2320. ± 100.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltacsolid-20000. ± 40000.kJ/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
536.9298.15Jin, Cheng, et al., 1992T = 120 to 560 K.; DH
550.300.Matsuo, Suga, et al., 1992T = 13 to 300 K. Data given graphically, only. Value estimated from graph.; DH
556.46300.Steele, Chirico, et al., 1992T = 300 to 800 K. Csat(c) = -136.9 + 2.442(T/K) - 2.56x10-4(T/K)2 - 6.5x10-7(T/K)3 J/mol*K (300 to 800 K). Value calculated from equation.; DH

Phase change data

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

Quantity Value Units Method Reference Comment
Deltasub190. ± 40.kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
152.8 ± 0.1897.GSPankajavalli, Mallika, et al., 1998Based on data from 789. - 907. K.; AC
175.2 ± 2.9860.ME,TEPiacente, Gigil, et al., 1995Based on data from 730. - 990. K.; AC
180. ± 10.634.UVDai, Mac Toth, et al., 1994Based on data from 546. - 722. K.; AC
158. ± 3.0700.MEPopovic, Drazic, et al., 1994AC
181.4 ± 2.3700.MSSai Baba, Lakshmi Narasimhan, et al., 1994See also Mathews, Baba, et al., 1992.; AC
158.6773.MEMathews, Baba, et al., 1993AC
159.0 ± 4.2673. - 873.MEAbrefah, Olander, et al., 1992AC
160. ± 4.673.VAbrefah, Olander, et al., 1992, 2crystal phase; High level of uncertainty in the data; ALS
176. ± 2.727.VMathews, Vasudeva Rao, et al., 1991High level of uncertainty in the data; ALS
168. ± 5.4707.VPan, Sampson, et al., 1991High level of uncertainty in the data; ALS
167.8 ± 5.4707.ME,MSPan, Sampson, et al., 1991Based on data from 640. - 800. K.; AC
138. ± 4.550.VTokmakoff, Haynes, et al., 1991High level of uncertainty in the data; ALS

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
230.crystaline, IIcrystaline, IAtake, Tanaka, et al., 1991Anomaly from 160 to 260 K.; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.990256.crystaline, IIcrystaline, IJin, Cheng, et al., 1992DH
7.540257.6crystaline, IIcrystaline, IMatsuo, Suga, et al., 1992Excess entropy at 240 and 254 K.; DH
2.100260.crystalinecrystalineByszewski, Diduszko, et al., 1992He atmosphere; DH
0.600260.crystalinecrystalineByszewski, Diduszko, et al., 1992Ar atmosphere; DH
4.900240.crystalinecrystalineByszewski, Diduszko, et al., 1992He atmosphere; DH
5.300240.crystalinecrystalineByszewski, Diduszko, et al., 1992Ar atmosphere; DH
1.000265.crystalinecrystalineByszewski, Diduszko, et al., 1992He atmosphere; DH
0.500265.crystalinecrystalineByszewski, Diduszko, et al., 1992Ar atmosphere; DH
6.945257.crystalinecrystalineDworkin, Fabre, et al., 1991DH
2.710257.2crystaline, IIcrystaline, IDworkin, Szwarc, et al., 1991DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
27.3256.crystaline, IIcrystaline, IJin, Cheng, et al., 1992DH
30.0257.6crystaline, IIcrystaline, IMatsuo, Suga, et al., 1992Excess; DH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 MUS338 A. Mujsce, AT&T Bell Labs., Murray Hill, N.J., USA
NIST MS number 115862

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Jin, Cheng, et al., 1992
Jin, Y.; Cheng, J.; Varma-Nair, M.; Liang, G.; Fu, Y.; Wunderlich, B., Xiang, S.-D. Mostovoy, R., and Zettl, A.K., Thermodynamic characterization of CA6A0 by DSC, J. Phys. Chem., 1992, 96(12), 5151-5156. [all data]

Matsuo, Suga, et al., 1992
Matsuo, T.; Suga, H.; David, W.I.F.; Ibberson, R.M.; Bernier, P.; Zahab, A.; Fabre, C.; Rassat, A.; Dworkin, A., The heat capacity of solid C60, Solid State Commun., 1992, 83(9), 711-715. [all data]

Steele, Chirico, et al., 1992
Steele, W.V.; Chirico, R.D.; Smith, N.K.; Billups, W.; Elmore, P.R.; Wheeler, A.E., Standard enthalpy of formation of buckminsterfullerene J. Phys. Chem., 1992, 45731-4733. [all data]

Pankajavalli, Mallika, et al., 1998
Pankajavalli, R.; Mallika, C.; Sreedharan, O.M.; Premila, M.; Gopalan, Padma, Vapour pressure of C60 by a transpiration method using a horizontal thermobalance, Thermochimica Acta, 1998, 316, 1, 101-108, https://doi.org/10.1016/S0040-6031(98)00304-9 . [all data]

Piacente, Gigil, et al., 1995
Piacente, V.; Gigil, G.; Scandala, P.; Giustini, A., Vapor pressure of C60 buckminsterfullerene, J. Phys. Chem., 1995, 99, 14052-14057. [all data]

Dai, Mac Toth, et al., 1994
Dai, Sheng; Mac Toth, L.; Del Cul, G.D.; Metcalf, David H., Ultraviolet-visible absorption spectrum of C60 vapor and determination of the C60 vaporization enthalpy, J. Chem. Phys., 1994, 101, 5, 4470, https://doi.org/10.1063/1.467433 . [all data]

Popovic, Drazic, et al., 1994
Popovic, Arkadij; Drazic, Goran; Marsel, Joze, Mass spectrometric investigations of fullerenes. I. Vapour pressure over the C60/C70 binary system, Rapid Commun. Mass Spectrom., 1994, 8, 12, 985-990, https://doi.org/10.1002/rcm.1290081216 . [all data]

Sai Baba, Lakshmi Narasimhan, et al., 1994
Sai Baba, M.; Lakshmi Narasimhan, T.S.; Balasubramanian, R.; Sivaraman, N.; Mathews, C.K., Studies on the thermodynamics of the fullerene C60-C70 binary system, J. Phys. Chem., 1994, 98, 4, 1333-1340, https://doi.org/10.1021/j100055a047 . [all data]

Mathews, Baba, et al., 1992
Mathews, C.K.; Baba, M. Sai; Narasimhan, T.S. Lakshmi; Balasubramanian, R.; Sivaraman, N.; Srinivasan, T.G.; Rao, P.R. Vasudeva, Vaporization studies on buckminsterfullerene, J. Phys. Chem., 1992, 96, 9, 3566-3568, https://doi.org/10.1021/j100188a002 . [all data]

Mathews, Baba, et al., 1993
Mathews, C.K.; Baba, M. Sai; Lakshmi Narasimhan, T.S.; Balasubramanian, R.; Sivaraman, N.; Srinivasan, T.G.; Vasudeva Rao, P.R., Vapour Pressure and Enthalpy of Sublimation of C 70, Fullerene Science and Technology, 1993, 1, 1, 101-109, https://doi.org/10.1080/15363839308015519 . [all data]

Abrefah, Olander, et al., 1992
Abrefah, J.; Olander, D.R.; Balooch, M.; Siekhaus, W.J., Vapor pressure of Buckminsterfullerene, Appl. Phys. Lett., 1992, 60, 11, 1313, https://doi.org/10.1063/1.107327 . [all data]

Abrefah, Olander, et al., 1992, 2
Abrefah, J.; Olander, D.R.; Balooch, M.; Siekhaus, W.J., Vapor pressure of buckminsterfullerene, Appl. Phys. Lett., 1992, 60, 1313-1314. [all data]

Mathews, Vasudeva Rao, et al., 1991
Mathews, C.K.; Vasudeva Rao, P.R.; Srinivasan, T.G.; Ganesan, V.; Sivaraman, N.; Lakshmi Narasimhan, T.S.L.; Kaliappan, I.; Chandran, K.; Dhamodaran, R., Preparation and characterization of buckministerfullerene and measurement of its heat of sublimation, Curr. Sci., 1991, 61, 834-838. [all data]

Pan, Sampson, et al., 1991
Pan, C.; Sampson, M.P.; Chai, Y.; Hauge, R.H.; Margrave, J.L., Heats of sublimation from a polycrystalline mixture of C60 and C70, J. Phys. Chem., 1991, 95, 2944-2946. [all data]

Tokmakoff, Haynes, et al., 1991
Tokmakoff, A.; Haynes, D.R.; George, S.M., Desorption kinetics of C60 multilayers from Al2O3(0001), Chem. Phys. Lett., 1991, 186, 450-455. [all data]

Atake, Tanaka, et al., 1991
Atake, T.; Tanaka, T.; Kawaji, H.; Kikuchi, K.; Saito, K.; Suzuki, S.; Ikemoto, I.; Achiba, Y., Heat capacity measurements and thermodynamic studies of the new compound C60, Physica C (Amsterdam), 1991, 185-189(Pt. 1), 427-428. [all data]

Byszewski, Diduszko, et al., 1992
Byszewski, P.; Diduszko, R.; Kowalska, E.; Fink-Fiowicki, J.; Witowski, A., Crystallization and phase transitions in C60, Appl. Phys. Lett., 1992, 61(25), 2981-2983. [all data]

Dworkin, Fabre, et al., 1991
Dworkin, A.; Fabre, C.; Schutz, D.; Kriza, G.; Ceolin, R.; Szwarc, H.; Bernier, P.; Jerome, D.; Leach, S.; Rassat, A.; Hare, J.P.; Dennis, J.; Droto, H.W.; Taylor, R.; Walton, D.R.M., Thermodynamic characterization of the crystallinity of a solid of footballene carbon sixty-atom molecules, C.R. Acad. Sci., Ser., 1991, II 313(9), 1017-1021. [all data]

Dworkin, Szwarc, et al., 1991
Dworkin, A.; Szwarc, H.; Leach, S.; Hare, J.P.; Dennis, T.J.; Kroto, H.W.; Taylor, R.; Walton, D.R.M., Thermodynamic evidence for a phase transition in crystalline fullerene C60, C.R. l'Academie Sci., Ser. II Univers., 1991, 312(9), 979-982. [all data]


Notes

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