Chemical Properties of (+)-Usnic acid (CAS 7562-61-0)

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/h5,11,22-23H,1-4H3

InChI Key

CUCUKLJLRRAKFN-UHFFFAOYSA-N

Formula

C18H16O7

SMILES

CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C

Molecular Weight¹

344.32

CAS

7562-61-0

Other Names

• 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bR)-
• 3(9bH)-Dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, D-
• 3(9bH)-Dibenzofuranone, 2,6-diacetyl-8,9b-dimethyl-1,7,9-trihydroxy-, D-
• d-Usnic acid
• Usnic acid, (R)-
• (+)-Usninic acid
• d-Usninic acid
• 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bh)-dione, (9bR)-
• (9bR)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-(2H,9bH)-dibenzofuran-1,3-dione
• (9bR)-2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

• 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°	-589.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-998.92	kJ/mol	Joback Calculated Property
ΔfusH°	45.72	kJ/mol	Joback Calculated Property
ΔvapH°	112.25	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	1.500		Crippen Calculated Property
McVol	238.590	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Inp	[2735.60; 2735.60]
Inp	2735.60		NIST
Inp	2735.60		NIST
Tboil	1106.56	K	Joback Calculated Property
Tc	1375.41	K	Joback Calculated Property
Tfus	912.45	K	Joback Calculated Property
Vc	0.804	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.37; 1035.90]	J/mol×K	[1106.56; 1375.41]
Cp,gas	848.37	J/mol×K	1106.56	Joback Calculated Property
Cp,gas	873.37	J/mol×K	1151.37	Joback Calculated Property
Cp,gas	900.44	J/mol×K	1196.18	Joback Calculated Property
Cp,gas	929.89	J/mol×K	1240.99	Joback Calculated Property
Cp,gas	962.07	J/mol×K	1285.79	Joback Calculated Property
Cp,gas	997.29	J/mol×K	1330.60	Joback Calculated Property
Cp,gas	1035.90	J/mol×K	1375.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-Usnic acid.

Sources

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

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