Chemical Properties of Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]- (CAS 37936-58-6)

InChI

InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h4,11-14H,2-3,5-7H2,1H3

InChI Key

BWRZDLYJNURUHS-UHFFFAOYSA-N

Formula

C15H18O2

SMILES

C=C1C(=O)OC2C1CC=C(C)C1CCC(=C)C12

Molecular Weight¹

230.30

CAS

37936-58-6

Other Names

• Eremanthin
• Vanillosmin
• (3aS,6aR,9aR,9bS)-6-Methyl-3,9-dimethylene-3a,4,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one

• 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	[538.90; 639.56]	J/mol×K	[672.46; 909.11]
Cp,gas	538.90	J/mol×K	672.46	Joback Calculated Property
Cp,gas	558.96	J/mol×K	711.90	Joback Calculated Property
Cp,gas	577.64	J/mol×K	751.34	Joback Calculated Property
Cp,gas	595.00	J/mol×K	790.79	Joback Calculated Property
Cp,gas	611.08	J/mol×K	830.23	Joback Calculated Property
Cp,gas	625.92	J/mol×K	869.67	Joback Calculated Property
Cp,gas	639.56	J/mol×K	909.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]-.

Sources

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

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