Chemical Properties of 3-Hydroxybenz[a]anthracene

InChI

InChI=1S/C18H12O/c19-16-7-8-17-15(10-16)6-5-14-9-12-3-1-2-4-13(12)11-18(14)17/h1-11,19H

InChI Key

MRRWKFVZIOCJBS-UHFFFAOYSA-N

Formula

C18H12O

SMILES

Oc1ccc2c(ccc3cc4ccccc4cc32)c1

Molecular Weight¹

244.29

• 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°	359.16	kJ/mol	Joback Calculated Property
ΔfH°gas	194.64	kJ/mol	Joback Calculated Property
ΔfusH°	32.48	kJ/mol	Joback Calculated Property
ΔvapH°	77.20	kJ/mol	Joback Calculated Property
log10WS	-6.43		Crippen Calculated Property
logPoct/wat	4.852		Crippen Calculated Property
McVol	188.210	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[2871.00; 2871.00]
Inp	2871.00		NIST
Inp	2871.00		NIST
Tboil	785.44	K	Joback Calculated Property
Tc	1054.46	K	Joback Calculated Property
Tfus	553.90	K	Joback Calculated Property
Vc	0.667	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.18; 589.56]	J/mol×K	[785.44; 1054.46]
Cp,gas	513.18	J/mol×K	785.44	Joback Calculated Property
Cp,gas	526.28	J/mol×K	830.28	Joback Calculated Property
Cp,gas	538.83	J/mol×K	875.11	Joback Calculated Property
Cp,gas	551.14	J/mol×K	919.95	Joback Calculated Property
Cp,gas	563.49	J/mol×K	964.79	Joback Calculated Property
Cp,gas	576.20	J/mol×K	1009.62	Joback Calculated Property
Cp,gas	589.56	J/mol×K	1054.46	Joback Calculated Property
η	[0.0000539; 0.0003579]	Pa×s	[553.90; 785.44]
η	0.0003579	Pa×s	553.90	Joback Calculated Property
η	0.0002356	Pa×s	592.49	Joback Calculated Property
η	0.0001632	Pa×s	631.08	Joback Calculated Property
η	0.0001180	Pa×s	669.67	Joback Calculated Property
η	0.0000883	Pa×s	708.26	Joback Calculated Property
η	0.0000681	Pa×s	746.85	Joback Calculated Property
η	0.0000539	Pa×s	785.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxybenz[a]anthracene.

Sources

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

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