Chemical Properties of Dehydrocostus lactone (CAS 477-43-0)

InChI

InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2

InChI Key

NETSQGRTUNRXEO-UHFFFAOYSA-N

Formula

C15H18O2

SMILES

C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12

Molecular Weight¹

230.30

CAS

477-43-0

Other Names

• (3aS,6aR,9aR,9bS)-3,6,9-Trimethylenedecahydroazuleno[4,5-b]furan-2(9bH)-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

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	[251.70; 655.00]	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			-7.35000e+01
Coefficient B			1.42850e+00
Coefficient C			-9.32800e-04
Coefficient D			2.32800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.70	J/mol×K	273.00	Calculated Property
Cp,gas	325.43	J/mol×K	353.78	Calculated Property
Cp,gas	390.22	J/mol×K	434.56	Calculated Property
Cp,gas	446.79	J/mol×K	515.33	Calculated Property
Cp,gas	495.89	J/mol×K	596.11	Calculated Property
Cp,gas	538.25	J/mol×K	676.89	Calculated Property
Cp,gas	574.60	J/mol×K	757.67	Calculated Property
Cp,gas	605.69	J/mol×K	838.44	Calculated Property
Cp,gas	632.24	J/mol×K	919.22	Calculated Property
Cp,gas	655.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023531; 0.0018225]	Pa×s	[384.72; 585.34]	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			-6.79759e+00
Coefficient B			2.86830e+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.			384.72
Temperature range, max.			585.34
η	0.0023531	Pa×s	384.72	Calculated Property
η	0.0022589	Pa×s	407.01	Calculated Property
η	0.0021778	Pa×s	429.30	Calculated Property
η	0.0021071	Pa×s	451.59	Calculated Property
η	0.0020451	Pa×s	473.88	Calculated Property
η	0.0019902	Pa×s	496.17	Calculated Property
η	0.0019414	Pa×s	518.46	Calculated Property
η	0.0018976	Pa×s	540.75	Calculated Property
η	0.0018582	Pa×s	563.04	Calculated Property
η	0.0018225	Pa×s	585.34	Calculated Property

Similar Compounds

Find more compounds similar to Dehydrocostus lactone.

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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