Chemical Properties of Corannulene (CAS 5821-51-2)

InChI

InChI=1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H

InChI Key

VXRUJZQPKRBJKH-UHFFFAOYSA-N

Formula

C20H10

SMILES

c1cc2ccc3ccc4ccc5ccc1c1c2c3c4c51

Molecular Weight¹

250.29

CAS

5821-51-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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
ΔfH°gas	458.50 ± 9.20	kJ/mol	NIST
ΔfH°solid	342.20 ± 6.00	kJ/mol	NIST
ΔfusH°	34.07	kJ/mol	Joback Calculated Property
ΔsubH°	[116.30; 119.50]	kJ/mol
ΔsubH°	116.30 ± 7.00	kJ/mol	NIST
ΔsubH°	119.50 ± 4.40	kJ/mol	NIST
ΔsubH°	116.30 ± 6.00	kJ/mol	NIST
ΔvapH°	115.50 ± 2.50	kJ/mol	NIST
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-8.01		Relay (1.0) Calculated Property
logPoct/wat	5.766		Crippen Calculated Property
McVol	184.500	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Tboil	759.99	K	Relay (1.0) Calculated Property
Tc	1103.14	K	Relay (1.0) Calculated Property
Tfus	629.95	K	Relay (1.0) Calculated Property
Vc	0.784	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.49; 549.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.41830e+02
Coefficient B			1.79400e+00
Coefficient C			-1.82740e-03
Coefficient D			7.25000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.49	J/mol×K	273.00	Calculated Property
Cp,gas	296.23	J/mol×K	353.78	Calculated Property
Cp,gas	352.17	J/mol×K	434.56	Calculated Property
Cp,gas	396.60	J/mol×K	515.33	Calculated Property
Cp,gas	431.80	J/mol×K	596.11	Calculated Property
Cp,gas	460.08	J/mol×K	676.89	Calculated Property
Cp,gas	483.72	J/mol×K	757.67	Calculated Property
Cp,gas	505.02	J/mol×K	838.44	Calculated Property
Cp,gas	526.28	J/mol×K	919.22	Calculated Property
Cp,gas	549.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0125441; 0.0147953]	Pa×s	[574.00; 723.41]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-3.57934e+00
Coefficient B			-4.58720e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			574.00
Temperature range, max.			723.41
η	0.0125441	Pa×s	574.00	Calculated Property
η	0.0128291	Pa×s	590.60	Calculated Property
η	0.0131044	Pa×s	607.20	Calculated Property
η	0.0133706	Pa×s	623.80	Calculated Property
η	0.0136279	Pa×s	640.40	Calculated Property
η	0.0138768	Pa×s	657.01	Calculated Property
η	0.0141176	Pa×s	673.61	Calculated Property
η	0.0143508	Pa×s	690.21	Calculated Property
η	0.0145766	Pa×s	706.81	Calculated Property
η	0.0147953	Pa×s	723.41	Calculated Property

Similar Compounds

Find more compounds similar to Corannulene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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