Chemical Properties of 10-Hydroxybenz[a]pyrene

InChI

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

InChI Key

ANHMWNGBSJFXSA-UHFFFAOYSA-N

Formula

C20H12O

SMILES

Oc1cccc2cc3ccc4cccc5ccc(c12)c3c45

Molecular Weight¹

268.31

• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.31; 610.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.38530e+02
Coefficient B			1.86140e+00
Coefficient C			-1.80304e-03
Coefficient D			6.90700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.31	J/mol×K	273.00	Calculated Property
Cp,gas	324.91	J/mol×K	353.78	Calculated Property
Cp,gas	386.55	J/mol×K	434.56	Calculated Property
Cp,gas	436.41	J/mol×K	515.33	Calculated Property
Cp,gas	476.67	J/mol×K	596.11	Calculated Property
Cp,gas	509.53	J/mol×K	676.89	Calculated Property
Cp,gas	537.16	J/mol×K	757.67	Calculated Property
Cp,gas	561.74	J/mol×K	838.44	Calculated Property
Cp,gas	585.47	J/mol×K	919.22	Calculated Property
Cp,gas	610.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005224; 0.0002004]	Pa×s	[627.94; 781.36]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.24378e+01
Coefficient B			3.06484e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			627.94
Temperature range, max.			781.36
η	0.0005224	Pa×s	627.94	Calculated Property
η	0.0004592	Pa×s	644.99	Calculated Property
η	0.0004063	Pa×s	662.03	Calculated Property
η	0.0003617	Pa×s	679.08	Calculated Property
η	0.0003239	Pa×s	696.13	Calculated Property
η	0.0002915	Pa×s	713.17	Calculated Property
η	0.0002637	Pa×s	730.22	Calculated Property
η	0.0002396	Pa×s	747.27	Calculated Property
η	0.0002187	Pa×s	764.31	Calculated Property
η	0.0002004	Pa×s	781.36	Calculated Property

Similar Compounds

Find more compounds similar to 10-Hydroxybenz[a]pyrene.

Sources

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

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