Chemical Properties of Tribenzo[b,n,pqr]perylene (CAS 190-81-8)

InChI

InChI=1S/C30H16/c1-3-9-19-17(7-1)21-11-5-13-23-24-14-6-12-22-18-8-2-4-10-20(18)26-16-15-25(19)29(27(21)23)30(26)28(22)24/h1-16H

InChI Key

OCHHCTQLQKUZDD-UHFFFAOYSA-N

Formula

C30H16

SMILES

c1ccc2c(c1)c1cccc3c4cccc5c6ccccc6c6ccc2c(c13)c6c54

Molecular Weight¹

376.45

CAS

190-81-8

• 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°	991.38	kJ/mol	Joback Calculated Property
ΔfH°gas	751.75	kJ/mol	Joback Calculated Property
ΔfusH°	50.25	kJ/mol	Joback Calculated Property
ΔvapH°	98.83	kJ/mol	Joback Calculated Property
IE	[7.13; 7.13]	eV
IE	7.13	eV	NIST
IE	7.13	eV	NIST
IE	7.13	eV	NIST
log10WS	-12.93		Crippen Calculated Property
logPoct/wat	8.635		Crippen Calculated Property
McVol	282.180	ml/mol	McGowan Calculated Property
Pc	1867.55	kPa	Joback Calculated Property
Tboil	1059.82	K	Joback Calculated Property
Tc	1334.83	K	Joback Calculated Property
Tfus	770.86	K	Joback Calculated Property
Vc	1.121	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[877.53; 1062.84]	J/mol×K	[1059.82; 1334.83]
Cp,gas	877.53	J/mol×K	1059.82	Joback Calculated Property
Cp,gas	900.56	J/mol×K	1105.65	Joback Calculated Property
Cp,gas	926.04	J/mol×K	1151.49	Joback Calculated Property
Cp,gas	954.48	J/mol×K	1197.32	Joback Calculated Property
Cp,gas	986.42	J/mol×K	1243.16	Joback Calculated Property
Cp,gas	1022.37	J/mol×K	1288.99	Joback Calculated Property
Cp,gas	1062.84	J/mol×K	1334.83	Joback Calculated Property
η	[0.0266349; 0.0277526]	Pa×s	[770.86; 1059.82]
η	0.0277526	Pa×s	770.86	Joback Calculated Property
η	0.0275076	Pa×s	819.02	Joback Calculated Property
η	0.0272917	Pa×s	867.18	Joback Calculated Property
η	0.0270999	Pa×s	915.34	Joback Calculated Property
η	0.0269285	Pa×s	963.50	Joback Calculated Property
η	0.0267743	Pa×s	1011.66	Joback Calculated Property
η	0.0266349	Pa×s	1059.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tribenzo[b,n,pqr]perylene.

Sources

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

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