Chemical Properties of Buckminsterfullerene (CAS 99685-96-8)

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

InChI Key

XMWRBQBLMFGWIX-UHFFFAOYSA-N

Formula

C60

SMILES

c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41

Molecular Weight¹

720.64

CAS

99685-96-8

Other Names

• carbon (C60)
• follene-60
• footballene
• footballene (C60)
• icosahedral C60
• soccerballene

• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
BasG	827.50	kJ/mol	NIST
ΔcH°solid	[-26033.00; 25965.00]	kJ/mol
ΔcH°solid	Outlier 25965.00 ± 12.00	kJ/mol	NIST
ΔcH°solid	-25937.00 ± 16.00	kJ/mol	NIST
ΔcH°solid	-25889.00 ± 12.00	kJ/mol	NIST
ΔcH°solid	-25884.00 ± 13.00	kJ/mol	NIST
ΔcH°solid	-25890.80 ± 5.40	kJ/mol	NIST
ΔcH°solid	-26033.00 ± 14.00	kJ/mol	NIST
EA	[1.62; 2.70]	eV
EA	2.68 ± 0.00	eV	NIST
EA	2.68 ± 0.01	eV	NIST
EA	2.69 ± 0.01	eV	NIST
EA	2.67 ± 0.00	eV	NIST
EA	2.65 ± 0.05	eV	NIST
EA	2.47 ± 0.01	eV	NIST
EA	Outlier 1.62 ± 0.19	eV	NIST
EA	2.70 ± 0.20	eV	NIST
ΔfG°	3296.88	kJ/mol	Joback Calculated Property
ΔfH°gas	2854.09	kJ/mol	Joback Calculated Property
ΔfusH°	142.76	kJ/mol	Joback Calculated Property
ΔsubH°	[168.50; 234.00]	kJ/mol
ΔsubH°	180.00 ± 2.00	kJ/mol	NIST
ΔsubH°	179.20 ± 3.50	kJ/mol	NIST
ΔsubH°	183.50 ± 1.00	kJ/mol	NIST
ΔsubH°	181.00 ± 2.00	kJ/mol	NIST
ΔsubH°	181.10 ± 2.60	kJ/mol	NIST
ΔsubH°	168.50 ± 1.20	kJ/mol	NIST
ΔsubH°	228.70 ± 7.30	kJ/mol	NIST
ΔsubH°	180.60 ± 1.50	kJ/mol	NIST
ΔsubH°	183.20 ± 3.50	kJ/mol	NIST
ΔsubH°	184.10 ± 3.10	kJ/mol	NIST
ΔsubH°	Outlier 234.00	kJ/mol	NIST
ΔvapH°	198.84	kJ/mol	Joback Calculated Property
IE	[7.54; 8.10]	eV
IE	7.60	eV	NIST
IE	7.80	eV	NIST
IE	7.60 ± 0.50	eV	NIST
IE	7.61	eV	NIST
IE	Outlier 8.10 ± 0.50	eV	NIST
IE	7.57 ± 0.01	eV	NIST
IE	Outlier 8.10 ± 0.50	eV	NIST
IE	7.54 ± 0.04	eV	NIST
IE	7.58 ± 0.03	eV	NIST
IE	7.61 ± 0.11	eV	NIST
IE	7.60 ± 0.10	eV	NIST
IE	7.61 ± 0.02	eV	NIST
IE	7.60 ± 0.20	eV	NIST
log10WS	-36.31		Crippen Calculated Property
logPoct/wat	17.730		Crippen Calculated Property
McVol	390.600	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Tboil	2058.60	K	Joback Calculated Property
Tc	3046.14	K	Joback Calculated Property
Tfus	2343.70	K	Joback Calculated Property
Vc	1.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[11897.55; 56686.28]	J/mol×K	[2058.60; 3046.14]
T(K) Ideal gas heat capacity (J/mol×K) 10000 20000 30000 40000 50000 60000 2500 3000
Cp,gas	11897.55	J/mol×K	2058.60	Joback Calculated Property
Cp,gas	16327.11	J/mol×K	2223.19	Joback Calculated Property
Cp,gas	21818.31	J/mol×K	2387.78	Joback Calculated Property
Cp,gas	28485.48	J/mol×K	2552.37	Joback Calculated Property
Cp,gas	36442.98	J/mol×K	2716.96	Joback Calculated Property
Cp,gas	45805.13	J/mol×K	2881.55	Joback Calculated Property
Cp,gas	56686.28	J/mol×K	3046.14	Joback Calculated Property
Cp,solid	[536.90; 556.46]	J/mol×K	[298.15; 300.00]
Cp,solid	536.90	J/mol×K	298.15	NIST
Cp,solid	550.00	J/mol×K	300.00	NIST
Cp,solid	556.46	J/mol×K	300.00	NIST
η	[3316437621269424640.0000000; 8211061978777230336.0000000]	Pa×s	[2058.60; 2343.70]
T(K) Dynamic viscosity (Pa×s) 3.00e+18 4.00e+18 5.00e+18 6.00e+18 7.00e+18 8.00e+18 2100 2200 2300
η	3316437621269424640.0000000	Pa×s	2058.60	Joback Calculated Property
η	3923698028174746112.0000000	Pa×s	2106.12	Joback Calculated Property
η	4607835880423360000.0000000	Pa×s	2153.63	Joback Calculated Property
η	5373840763900083200.0000000	Pa×s	2201.15	Joback Calculated Property
η	6226586038619201536.0000000	Pa×s	2248.67	Joback Calculated Property
η	7170803679794909184.0000000	Pa×s	2296.18	Joback Calculated Property
η	8211061978777230336.0000000	Pa×s	2343.70	Joback Calculated Property
ΔsubH	[138.00; 181.40]	kJ/mol	[550.00; 860.00]
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 140 150 160 170 180 600 700 800
ΔsubH	138.00 ± 4.00	kJ/mol	550.00	NIST
ΔsubH	180.00 ± 10.00	kJ/mol	634.00	NIST
ΔsubH	160.00 ± 4.00	kJ/mol	673.00	NIST
ΔsubH	158.00 ± 3.00	kJ/mol	700.00	NIST
ΔsubH	181.40 ± 2.30	kJ/mol	700.00	NIST
ΔsubH	168.00 ± 5.40	kJ/mol	707.00	NIST
ΔsubH	167.80 ± 5.40	kJ/mol	720.00	NIST
ΔsubH	176.00 ± 2.00	kJ/mol	727.00	NIST
ΔsubH	159.00 ± 4.20	kJ/mol	773.00	NIST
ΔsubH	158.60	kJ/mol	773.00	NIST
ΔsubH	152.80 ± 0.10	kJ/mol	848.00	NIST
ΔsubH	175.20 ± 2.90	kJ/mol	860.00	NIST
ΔvapH	175.00	kJ/mol	945.00	Enthalp...

Similar Compounds

Find more compounds similar to Buckminsterfullerene.

Mixtures

• Benzene, 1,2-dichloro- + Buckminsterfullerene
• Buckminsterfullerene + Nonane
• Naphthalene, 1-chloro- + Buckminsterfullerene
• Naphthalene, 1-bromo- + Buckminsterfullerene

Sources

• Crippen Method
• Crippen Method
• Pressure dependence of the solubility of light fullerenes in n-nonane
• Enthalpies of combustion and formation of fullerenes by micro-combustion calorimetry in a Calvet calorimeter
• Enthalpies of sublimation of fullerenes by thermogravimetry
• Mass Diffusion Coefficient and Soret Coefficient of o-Dichlorobenzene Solutions of PCBM and [60]Fullerene by the Soret Forced Rayleigh Scattering Method
• Temperature Dependence of Solubility of Individual Light Fullerenes and Industrial Fullerene Mixture in 1-Chloronaphthalene and 1-Bromonaphthalene
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.