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_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	112.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.48	kJ/mol	Joback Calculated Property
ΔvapH°	129.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.21	eV	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) 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	746.79	K	Relay (1.0) Calculated Property
Tc	1070.40	K	Relay (1.0) Calculated Property
Tfus	532.67	K	Relay (1.0) Calculated Property
Vc	0.679	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	[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

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

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