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
- IUPAC Standard InChIKey: XMWRBQBLMFGWIX-UHFFFAOYSA-N
- 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
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Phase change data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔsubH° | 45. ± 9. | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 36.52 ± 0.02 | 897. | GS | Pankajavalli, Mallika, et al., 1998 | Based on data from 789. to 907. K.; AC |
| 41.87 ± 0.69 | 860. | ME,TE | Piacente, Gigil, et al., 1995 | Based on data from 730. to 990. K.; AC |
| 43.0 ± 2.4 | 634. | UV | Dai, Mac Toth, et al., 1994 | Based on data from 546. to 722. K.; AC |
| 37.8 ± 0.72 | 700. | ME | Popovic, Drazic, et al., 1994 | AC |
| 43.36 ± 0.55 | 700. | MS | Sai Baba, Lakshmi Narasimhan, et al., 1994 | See also Mathews, Baba, et al., 1992.; AC |
| 37.91 | 773. | ME | Mathews, Baba, et al., 1993 | AC |
| 38.0 ± 1.0 | 673. to 873. | ME | Abrefah, Olander, et al., 1992 | AC |
| 38. ± 1. | 673. | V | Abrefah, Olander, et al., 1992, 2 | crystal phase; High level of uncertainty in the data; ALS |
| 42.1 ± 0.5 | 727. | V | Mathews, Vasudeva Rao, et al., 1991 | High level of uncertainty in the data; ALS |
| 40.1 ± 1.3 | 707. | V | Pan, Sampson, et al., 1991 | High level of uncertainty in the data; ALS |
| 40.1 ± 1.3 | 707. | ME,MS | Pan, Sampson, et al., 1991 | Based on data from 640. to 800. K.; AC |
| 33.1 ± 0.9 | 550. | V | Tokmakoff, Haynes, et al., 1991 | High level of uncertainty in the data; ALS |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 230. | crystaline, II | crystaline, I | Atake, Tanaka, et al., 1991 | Anomaly from 160 to 260 K.; DH |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.671 | 256. | crystaline, II | crystaline, I | Jin, Cheng, et al., 1992 | DH |
| 1.802 | 257.6 | crystaline, II | crystaline, I | Matsuo, Suga, et al., 1992 | Excess entropy at 240 and 254 K.; DH |
| 0.5019 | 260. | crystaline | crystaline | Byszewski, Diduszko, et al., 1992 | He atmosphere; DH |
| 0.143 | 260. | crystaline | crystaline | Byszewski, Diduszko, et al., 1992 | Ar atmosphere; DH |
| 1.171 | 240. | crystaline | crystaline | Byszewski, Diduszko, et al., 1992 | He atmosphere; DH |
| 1.267 | 240. | crystaline | crystaline | Byszewski, Diduszko, et al., 1992 | Ar atmosphere; DH |
| 0.2390 | 265. | crystaline | crystaline | Byszewski, Diduszko, et al., 1992 | He atmosphere; DH |
| 0.120 | 265. | crystaline | crystaline | Byszewski, Diduszko, et al., 1992 | Ar atmosphere; DH |
| 1.660 | 257. | crystaline | crystaline | Dworkin, Fabre, et al., 1991 | DH |
| 0.6477 | 257.2 | crystaline, II | crystaline, I | Dworkin, Szwarc, et al., 1991 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 6.52 | 256. | crystaline, II | crystaline, I | Jin, Cheng, et al., 1992 | DH |
| 7.17 | 257.6 | crystaline, II | crystaline, I | Matsuo, Suga, et al., 1992 | Excess; DH |
References
Go To: Top, Phase change data, 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, Phase change data, References
- Symbols used in this document:
Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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