Chemical Properties of Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, [3R-(3«alpha»,3a«beta»,9a«beta»,9b«alpha»)]- (CAS 5956-04-7)

InChI

InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3

InChI Key

BJPSSVHNEGMBDQ-UHFFFAOYSA-N

Formula

C15H18O3

SMILES

CC1=CC(=O)C2=C(C)CCC3C(C)C(=O)OC3C12

Molecular Weight¹

246.30

CAS

5956-04-7

Other Names

• Guaia-1(10),3-dien-12-oic acid, 6«alpha»-hydroxy-2-oxo-, «gamma»-lactone, (11R)-
• Achillin
• Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3R,3aS,9aS,9bS)-
• 3,6,9-Trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione-, (3R,3aS,9aS,9bS)-

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.11; 691.75]	J/mol×K	[751.08; 998.19]
Cp,gas	598.11	J/mol×K	751.08	Joback Calculated Property
Cp,gas	617.46	J/mol×K	792.26	Joback Calculated Property
Cp,gas	635.31	J/mol×K	833.45	Joback Calculated Property
Cp,gas	651.65	J/mol×K	874.63	Joback Calculated Property
Cp,gas	666.50	J/mol×K	915.82	Joback Calculated Property
Cp,gas	679.87	J/mol×K	957.00	Joback Calculated Property
Cp,gas	691.75	J/mol×K	998.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, [3R-(3«alpha»,3a«beta»,9a«beta»,9b«alpha»)]-.

Sources

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

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