Buckminsterfullerene

• Formula: C₆₀
• Molecular weight: 720.6420
• IUPAC Standard InChI: InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59 Copy

  
• IUPAC Standard InChIKey: XMWRBQBLMFGWIX-UHFFFAOYSA-N Copy
• CAS Registry Number: 99685-96-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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, 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

Phase change data

Go To: Top, Gas 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

Enthalpy of sublimation

Temperature of phase transition

Enthalpy of phase transition

Entropy of phase transition

Mass spectrum (electron ionization)

Go To: Top, Gas 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

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

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

References

Go To: Top, Gas 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.

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]

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]

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, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Ttrs	Temperature of phase transition
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.