Chemical Properties of Dibenzo[a,c]pentacene (CAS 216-08-0)

InChI

InChI=1S/C30H18/c1-2-8-20-14-22-16-24-18-30-28-12-6-4-10-26(28)25-9-3-5-11-27(25)29(30)17-23(24)15-21(22)13-19(20)7-1/h1-18H

InChI Key

FMULMJRDHBIBNO-UHFFFAOYSA-N

Formula

C30H18

SMILES

c1ccc2cc3cc4cc5c6ccccc6c6ccccc6c5cc4cc3cc2c1

Molecular Weight¹

378.46

CAS

216-08-0

• 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).
• 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°	905.88	kJ/mol	Joback Calculated Property
ΔfH°gas	663.07	kJ/mol	Joback Calculated Property
ΔfusH°	47.67	kJ/mol	Joback Calculated Property
ΔvapH°	97.80	kJ/mol	Joback Calculated Property
IE	[6.36; 6.72]	eV
IE	6.62 ± 0.02	eV	NIST
IE	6.67	eV	NIST
IE	6.67 ± 0.04	eV	NIST
IE	6.72	eV	NIST
IE	6.36	eV	NIST
log10WS	-12.30		Crippen Calculated Property
logPoct/wat	8.606		Crippen Calculated Property
McVol	293.040	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Tboil	1051.26	K	Joback Calculated Property
Tc	1330.47	K	Joback Calculated Property
Tfus	713.08	K	Joback Calculated Property
Vc	1.139	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.76; 1057.66]	J/mol×K	[1051.26; 1330.47]
Cp,gas	909.76	J/mol×K	1051.26	Joback Calculated Property
Cp,gas	929.78	J/mol×K	1097.80	Joback Calculated Property
Cp,gas	951.06	J/mol×K	1144.33	Joback Calculated Property
Cp,gas	974.05	J/mol×K	1190.87	Joback Calculated Property
Cp,gas	999.18	J/mol×K	1237.40	Joback Calculated Property
Cp,gas	1026.90	J/mol×K	1283.94	Joback Calculated Property
Cp,gas	1057.66	J/mol×K	1330.47	Joback Calculated Property
η	[0.0027786; 0.0046199]	Pa×s	[713.08; 1051.26]
η	0.0046199	Pa×s	713.08	Joback Calculated Property
η	0.0041148	Pa×s	769.44	Joback Calculated Property
η	0.0037234	Pa×s	825.81	Joback Calculated Property
η	0.0034125	Pa×s	882.17	Joback Calculated Property
η	0.0031604	Pa×s	938.53	Joback Calculated Property
η	0.0029526	Pa×s	994.90	Joback Calculated Property
η	0.0027786	Pa×s	1051.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[a,c]pentacene.

Sources

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

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