Chemical Properties of Anthra[1,2-e]acephenanthrylene (CAS 28512-55-2)

InChI

InChI=1S/C28H16/c1-2-7-18-15-25-20(14-17(18)6-1)12-13-23-26-16-19-8-3-4-9-21(19)22-10-5-11-24(27(23)25)28(22)26/h1-16H

InChI Key

MPPRFVATAIGMDS-UHFFFAOYSA-N

Formula

C28H16

SMILES

c1ccc2cc3c4c(ccc3cc2c1)-c1cc2ccccc2c2cccc-4c12

Molecular Weight¹

352.43

CAS

28512-55-2

Other Names

• 1,2:10,11-Dibenzoperylene

• 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°	883.28	kJ/mol	Joback Calculated Property
ΔfH°gas	658.89	kJ/mol	Joback Calculated Property
ΔfusH°	45.46	kJ/mol	Joback Calculated Property
ΔvapH°	92.71	kJ/mol	Joback Calculated Property
IE	[6.51; 6.84]	eV
IE	6.84	eV	NIST
IE	6.51	eV	NIST
log10WS	-12.14		Crippen Calculated Property
logPoct/wat	7.947		Crippen Calculated Property
McVol	269.160	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Tboil	997.80	K	Joback Calculated Property
Tc	1271.87	K	Joback Calculated Property
Tfus	696.82	K	Joback Calculated Property
Vc	1.058	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[812.33; 948.44]	J/mol×K	[997.80; 1271.87]
Cp,gas	812.33	J/mol×K	997.80	Joback Calculated Property
Cp,gas	830.69	J/mol×K	1043.48	Joback Calculated Property
Cp,gas	850.20	J/mol×K	1089.16	Joback Calculated Property
Cp,gas	871.30	J/mol×K	1134.83	Joback Calculated Property
Cp,gas	894.41	J/mol×K	1180.51	Joback Calculated Property
Cp,gas	919.98	J/mol×K	1226.19	Joback Calculated Property
Cp,gas	948.44	J/mol×K	1271.87	Joback Calculated Property
η	[0.0066304; 0.0086256]	Pa×s	[696.82; 997.80]
η	0.0086256	Pa×s	696.82	Joback Calculated Property
η	0.0081349	Pa×s	746.98	Joback Calculated Property
η	0.0077289	Pa×s	797.15	Joback Calculated Property
η	0.0073878	Pa×s	847.31	Joback Calculated Property
η	0.0070975	Pa×s	897.47	Joback Calculated Property
η	0.0068476	Pa×s	947.64	Joback Calculated Property
η	0.0066304	Pa×s	997.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anthra[1,2-e]acephenanthrylene.

Sources

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

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