Chemical Properties of Cleroda-3,14-dien-13-ol

InChI

InChI=1S/C20H36O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,15-17,21H,1,8-14H2,2-6H3/t15?,16-,17?,18?,19-,20+/m1/s1

InChI Key

WGAQXMSWRQCBPC-SEVUWRMUSA-N

Formula

C20H36O

SMILES

C=CC(C)(O)CCC1(C)C(C)CCC2(C)C(C)CCCC21

Molecular Weight¹

292.50

• 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.
• I : 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	[363.48; 1044.00]	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			-2.40598e+02
Coefficient B			2.81140e+00
Coefficient C			-2.44310e-03
Coefficient D			9.16300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.48	J/mol×K	273.00	Calculated Property
Cp,gas	488.81	J/mol×K	353.78	Calculated Property
Cp,gas	594.95	J/mol×K	434.56	Calculated Property
Cp,gas	684.80	J/mol×K	515.33	Calculated Property
Cp,gas	761.25	J/mol×K	596.11	Calculated Property
Cp,gas	827.21	J/mol×K	676.89	Calculated Property
Cp,gas	885.56	J/mol×K	757.67	Calculated Property
Cp,gas	939.22	J/mol×K	838.44	Calculated Property
Cp,gas	991.06	J/mol×K	919.22	Calculated Property
Cp,gas	1044.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cleroda-3,14-dien-13-ol.

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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