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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.72	kJ/mol	Joback Calculated Property
logPoct/wat	1.500		Crippen Calculated Property
McVol	238.590	ml/mol	McGowan Calculated Property
Inp	[2735.60; 2735.60]
Inp	2735.60		NIST
Inp	2735.60		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[848.47; 1036.12]	J/mol×K	[1106.76; 1375.66]
Cp,gas	848.47	J/mol×K	1106.76	Joback Calculated Property
Cp,gas	873.50	J/mol×K	1151.58	Joback Calculated Property
Cp,gas	900.58	J/mol×K	1196.39	Joback Calculated Property
Cp,gas	930.05	J/mol×K	1241.21	Joback Calculated Property
Cp,gas	962.24	J/mol×K	1286.03	Joback Calculated Property
Cp,gas	997.49	J/mol×K	1330.84	Joback Calculated Property
Cp,gas	1036.12	J/mol×K	1375.66	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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