Chemical Properties of Benzo[a]coronene (CAS 190-70-5)

InChI

InChI=1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H

InChI Key

NQSLOOOUQZYGEB-UHFFFAOYSA-N

Formula

C28H14

SMILES

c1ccc2c(c1)c1ccc3ccc4ccc5ccc6ccc2c2c6c5c4c3c12

Molecular Weight¹

350.41

CAS

190-70-5

• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• 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°	968.78	kJ/mol	Joback Calculated Property
ΔfH°gas	747.57	kJ/mol	Joback Calculated Property
ΔfusH°	48.05	kJ/mol	Joback Calculated Property
ΔvapH°	93.74	kJ/mol	Joback Calculated Property
IE	[7.08; 7.08]	eV
IE	7.08	eV	NIST
IE	7.08	eV	NIST
IE	7.08	eV	NIST
log10WS	-12.35		Crippen Calculated Property
logPoct/wat	8.072		Crippen Calculated Property
McVol	258.300	ml/mol	McGowan Calculated Property
Pc	2051.17	kPa	Joback Calculated Property
Inp	[655.84; 656.34]
Inp	655.84		NIST
Inp	656.34		NIST
Inp	655.84		NIST
Tboil	1006.36	K	Joback Calculated Property
Tc	1275.89	K	Joback Calculated Property
Tfus	754.60	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.55; 940.85]	J/mol×K	[1006.36; 1275.89]
Cp,gas	777.55	J/mol×K	1006.36	Joback Calculated Property
Cp,gas	797.63	J/mol×K	1051.28	Joback Calculated Property
Cp,gas	819.89	J/mol×K	1096.20	Joback Calculated Property
Cp,gas	844.84	J/mol×K	1141.13	Joback Calculated Property
Cp,gas	872.97	J/mol×K	1186.05	Joback Calculated Property
Cp,gas	904.81	J/mol×K	1230.97	Joback Calculated Property
Cp,gas	940.85	J/mol×K	1275.89	Joback Calculated Property
η	[0.0530229; 0.0606036]	Pa×s	[754.60; 1006.36]
η	0.0530229	Pa×s	754.60	Joback Calculated Property
η	0.0545360	Pa×s	796.56	Joback Calculated Property
η	0.0559346	Pa×s	838.52	Joback Calculated Property
η	0.0572308	Pa×s	880.48	Joback Calculated Property
η	0.0584351	Pa×s	922.44	Joback Calculated Property
η	0.0595567	Pa×s	964.40	Joback Calculated Property
η	0.0606036	Pa×s	1006.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[a]coronene.

Sources

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

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