Chemical Properties of Benzo[b]picene (CAS 217-42-5)

InChI

InChI=1S/C26H16/c1-2-7-19-16-26-20(15-18(19)6-1)10-12-24-23-11-9-17-5-3-4-8-21(17)22(23)13-14-25(24)26/h1-16H

InChI Key

JVVYVDMBJGSYKH-UHFFFAOYSA-N

Formula

C26H16

SMILES

c1ccc2cc3c(ccc4c3ccc3c5ccccc5ccc34)cc2c1

Molecular Weight¹

328.41

CAS

217-42-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfH°gas	409.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.68	kJ/mol	Joback Calculated Property
ΔvapH°	156.21	kJ/mol	Relay (1.0) Calculated Property
IE	[7.17; 7.20]	eV
IE	7.17 ± 0.02	eV	NIST
IE	7.20 ± 0.04	eV	NIST
log10WS	-10.03		Relay (1.0) Calculated Property
logPoct/wat	7.453		Crippen Calculated Property
McVol	256.140	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[599.03; 599.06]
Inp	599.06		NIST
Inp	599.03		NIST
Tboil	867.84	K	Relay (1.0) Calculated Property
Tc	1204.66	K	Relay (1.0) Calculated Property
Tfus	542.95	K	Relay (1.0) Calculated Property
Vc	0.982	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.55; 858.35]	J/mol×K	[935.98; 1210.19]
Cp,gas	753.55	J/mol×K	935.98	Joback Calculated Property
Cp,gas	769.64	J/mol×K	981.68	Joback Calculated Property
Cp,gas	785.80	J/mol×K	1027.38	Joback Calculated Property
Cp,gas	802.39	J/mol×K	1073.08	Joback Calculated Property
Cp,gas	819.77	J/mol×K	1118.78	Joback Calculated Property
Cp,gas	838.30	J/mol×K	1164.49	Joback Calculated Property
Cp,gas	858.35	J/mol×K	1210.19	Joback Calculated Property
η	[0.0017549; 0.0031676]	Pa×s	[622.78; 935.98]
η	0.0031676	Pa×s	622.78	Joback Calculated Property
η	0.0027635	Pa×s	674.98	Joback Calculated Property
η	0.0024586	Pa×s	727.18	Joback Calculated Property
η	0.0022219	Pa×s	779.38	Joback Calculated Property
η	0.0020336	Pa×s	831.58	Joback Calculated Property
η	0.0018809	Pa×s	883.78	Joback Calculated Property
η	0.0017549	Pa×s	935.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[b]picene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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