Chemical Properties of Benzo(a)pyrene 4,5-oxide (CAS 37574-47-3)

InChI

InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H

InChI Key

XGZQLNASOQVQTD-UHFFFAOYSA-N

Formula

C20H12O

SMILES

c1ccc2c(c1)cc1c3c2ccc2cccc(c23)C2OC12

Molecular Weight¹

268.31

CAS

37574-47-3

Other Names

• Benzo(a)pyrene 4,5-epoxide
• Benzo(1,2)pyreno(4,5-b)oxirene, 3b,4a-dihydro-
• Benz(a)pyrene 4,5-oxide
• Bp 4,5-epoxide
• Bp 4,5-oxide
• 4,5-Dihydro-4,5-epoxybenzpyrene

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.75; 637.28]	J/mol×K	[788.16; 1046.20]
Cp,gas	556.75	J/mol×K	788.16	Joback Calculated Property
Cp,gas	570.19	J/mol×K	831.17	Joback Calculated Property
Cp,gas	583.20	J/mol×K	874.17	Joback Calculated Property
Cp,gas	596.09	J/mol×K	917.18	Joback Calculated Property
Cp,gas	609.18	J/mol×K	960.19	Joback Calculated Property
Cp,gas	622.81	J/mol×K	1003.20	Joback Calculated Property
Cp,gas	637.28	J/mol×K	1046.20	Joback Calculated Property
η	[0.0129637; 0.0152186]	Pa×s	[562.77; 788.16]
η	0.0129637	Pa×s	562.77	Joback Calculated Property
η	0.0134267	Pa×s	600.34	Joback Calculated Property
η	0.0138488	Pa×s	637.90	Joback Calculated Property
η	0.0142351	Pa×s	675.47	Joback Calculated Property
η	0.0145899	Pa×s	713.03	Joback Calculated Property
η	0.0149166	Pa×s	750.60	Joback Calculated Property
η	0.0152186	Pa×s	788.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo(a)pyrene 4,5-oxide.

Sources

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

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