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

• 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).
• 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°	-585.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-958.27	kJ/mol	Joback Calculated Property
ΔfusH°	49.67	kJ/mol	Joback Calculated Property
ΔvapH°	126.61	kJ/mol	Joback Calculated Property
log10WS	-3.18		Crippen 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	1144.71	K	Joback Calculated Property
Tc	1405.53	K	Joback Calculated Property
Tfus	935.09	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.