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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 2560. ± 100. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 |
|---|---|---|---|---|---|
| ΔfH°solid | 2320. ± 100. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -25930. ± 100. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 536.9 | 298.15 | Jin, Cheng, et al., 1992 | T = 120 to 560 K.; DH |
| 550. | 300. | Matsuo, Suga, et al., 1992 | T = 13 to 300 K. Data given graphically, only. Value estimated from graph.; DH |
| 556.46 | 300. | Steele, Chirico, et al., 1992 | T = 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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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