Chemical Properties of Benzo(a)pyren-7-ol (CAS 37994-82-4)

InChI

InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H

InChI Key

CNQAYISXCZTDQX-UHFFFAOYSA-N

Formula

C20H12O

SMILES

Oc1cccc2c1cc1ccc3cccc4ccc2c1c34

Molecular Weight¹

268.31

CAS

37994-82-4

Other Names

• Benzo(a)pyrene, 7-hydroxy-
• 7-Hydroxybenzo(a)pyrene
• 7-Hydroxybenz[a]pyrene

• 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).
• 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
ΔfG°	467.26	kJ/mol	Joback Calculated Property
ΔfH°gas	287.50	kJ/mol	Joback Calculated Property
ΔfusH°	37.27	kJ/mol	Joback Calculated Property
ΔvapH°	83.31	kJ/mol	Joback Calculated Property
log10WS	-7.65		Crippen Calculated Property
logPoct/wat	5.443		Crippen Calculated Property
McVol	201.230	ml/mol	McGowan Calculated Property
Pc	3055.79	kPa	Joback Calculated Property
Inp	[3252.00; 3252.00]
Inp	3252.00		NIST
Inp	3252.00		NIST
Tboil	847.46	K	Joback Calculated Property
Tc	1115.96	K	Joback Calculated Property
Tfus	627.94	K	Joback Calculated Property
Vc	0.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.39; 653.19]	J/mol×K	[847.46; 1115.96]
Cp,gas	564.39	J/mol×K	847.46	Joback Calculated Property
Cp,gas	577.50	J/mol×K	892.21	Joback Calculated Property
Cp,gas	590.79	J/mol×K	936.96	Joback Calculated Property
Cp,gas	604.63	J/mol×K	981.71	Joback Calculated Property
Cp,gas	619.40	J/mol×K	1026.46	Joback Calculated Property
Cp,gas	635.46	J/mol×K	1071.21	Joback Calculated Property
Cp,gas	653.19	J/mol×K	1115.96	Joback Calculated Property
η	[0.0001476; 0.0005224]	Pa×s	[627.94; 847.46]
η	0.0005224	Pa×s	627.94	Joback Calculated Property
η	0.0003993	Pa×s	664.53	Joback Calculated Property
η	0.0003139	Pa×s	701.11	Joback Calculated Property
η	0.0002527	Pa×s	737.70	Joback Calculated Property
η	0.0002077	Pa×s	774.29	Joback Calculated Property
η	0.0001737	Pa×s	810.87	Joback Calculated Property
η	0.0001476	Pa×s	847.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo(a)pyren-7-ol.

Sources

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

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