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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	707.38	kJ/mol	Joback Calculated Property
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
log10WS	-8.74		Crippen 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	775.40	K	Joback Calculated Property
Tc	1033.18	K	Joback Calculated Property
Tfus	574.00	K	Joback Calculated Property
Vc	0.748	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[488.52; 560.60]	J/mol×K	[775.40; 1033.18]
Cp,gas	488.52	J/mol×K	775.40	Joback Calculated Property
Cp,gas	499.82	J/mol×K	818.36	Joback Calculated Property
Cp,gas	510.95	J/mol×K	861.33	Joback Calculated Property
Cp,gas	522.25	J/mol×K	904.29	Joback Calculated Property
Cp,gas	534.06	J/mol×K	947.25	Joback Calculated Property
Cp,gas	546.73	J/mol×K	990.21	Joback Calculated Property
Cp,gas	560.60	J/mol×K	1033.18	Joback Calculated Property
η	[0.0125441; 0.0154379]	Pa×s	[574.00; 775.40]
η	0.0125441	Pa×s	574.00	Joback Calculated Property
η	0.0131104	Pa×s	607.57	Joback Calculated Property
η	0.0136390	Pa×s	641.13	Joback Calculated Property
η	0.0141332	Pa×s	674.70	Joback Calculated Property
η	0.0145960	Pa×s	708.27	Joback Calculated Property
η	0.0150301	Pa×s	741.83	Joback Calculated Property
η	0.0154379	Pa×s	775.40	Joback Calculated Property
ΔfusH	17.30	kJ/mol	542.30	NIST
ΔsubH	115.80	kJ/mol	407.50	NIST

Similar Compounds

Find more compounds similar to Corannulene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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