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»)]-

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

230.31

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	28.77	kJ/mol	Joback Calculated Property
logPoct/wat	3.017		Crippen Calculated Property
McVol	184.170	ml/mol	McGowan Calculated Property
Inp	[2018.00; 2018.00]
Inp	2018.00		NIST
Inp	2018.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.27; 652.57]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.37100e+01
Coefficient B			1.43052e+00
Coefficient C			-9.45440e-04
Coefficient D			2.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.27	J/mol×K	273.00	Calculated Property
Cp,gas	324.73	J/mol×K	353.78	Calculated Property
Cp,gas	389.19	J/mol×K	434.56	Calculated Property
Cp,gas	445.42	J/mol×K	515.33	Calculated Property
Cp,gas	494.17	J/mol×K	596.11	Calculated Property
Cp,gas	536.22	J/mol×K	676.89	Calculated Property
Cp,gas	572.32	J/mol×K	757.67	Calculated Property
Cp,gas	603.23	J/mol×K	838.44	Calculated Property
Cp,gas	629.73	J/mol×K	919.22	Calculated Property
Cp,gas	652.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021958; 0.0016851]	Pa×s	[384.32; 589.59]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-6.88159e+00
Coefficient B			2.92230e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			384.32
Temperature range, max.			589.59
η	0.0021958	Pa×s	384.32	Calculated Property
η	0.0021042	Pa×s	407.13	Calculated Property
η	0.0020256	Pa×s	429.94	Calculated Property
η	0.0019574	Pa×s	452.74	Calculated Property
η	0.0018978	Pa×s	475.55	Calculated Property
η	0.0018451	Pa×s	498.36	Calculated Property
η	0.0017984	Pa×s	521.17	Calculated Property
η	0.0017566	Pa×s	543.98	Calculated Property
η	0.0017190	Pa×s	566.78	Calculated Property
η	0.0016851	Pa×s	589.59	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)
• 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

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