Chemical Properties of 2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one (Usnic acid)

InChI

InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3

InChI Key

WEYVVCKOOFYHRW-UHFFFAOYSA-N

Formula

C18H16O7

SMILES

CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O

Molecular Weight¹

344.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ω	0.9783		Relay (1.0) Calculated Property
ΔfG°	-585.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-966.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.67	kJ/mol	Joback Calculated Property
ΔvapH°	123.39	kJ/mol	Relay (1.0) Calculated Property
IE	7.43	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	2.127		Crippen Calculated Property
McVol	238.590	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
Inp	[2706.00; 2706.00]
Inp	2706.00		NIST
Inp	2706.00		NIST
Tboil	614.19	K	Relay (1.0) Calculated Property
Tc	1071.27	K	Relay (1.0) Calculated Property
Tfus	462.89	K	Relay (1.0) Calculated Property
Vc	0.857	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.72; 1069.97]	J/mol×K	[1144.71; 1405.53]
Cp,gas	848.72	J/mol×K	1144.71	Joback Calculated Property
Cp,gas	877.12	J/mol×K	1188.18	Joback Calculated Property
Cp,gas	908.43	J/mol×K	1231.65	Joback Calculated Property
Cp,gas	943.01	J/mol×K	1275.12	Joback Calculated Property
Cp,gas	981.23	J/mol×K	1318.59	Joback Calculated Property
Cp,gas	1023.43	J/mol×K	1362.06	Joback Calculated Property
Cp,gas	1069.97	J/mol×K	1405.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one (Usnic acid).

Sources

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

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