Chemical Properties of labd-7,13-dien-15-ol

InChI

InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h8,11,17-18,21H,6-7,9-10,12-14H2,1-5H3/b15-11+/t17?,18?,20-/m1/s1

InChI Key

KPOGKOXAZMFZNM-RRHIHBEPSA-N

Formula

C20H34O

SMILES

CC1=CCC2C(C)(C)CCC[C@]2(C)C1CC/C(C)=C/CO

Molecular Weight¹

290.49

• 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.
• 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	[354.71; 999.19]	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			-2.10867e+02
Coefficient B			2.63650e+00
Coefficient C			-2.31014e-03
Coefficient D			8.83700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.71	J/mol×K	273.00	Calculated Property
Cp,gas	471.86	J/mol×K	353.78	Calculated Property
Cp,gas	571.11	J/mol×K	434.56	Calculated Property
Cp,gas	655.25	J/mol×K	515.33	Calculated Property
Cp,gas	727.07	J/mol×K	596.11	Calculated Property
Cp,gas	789.36	J/mol×K	676.89	Calculated Property
Cp,gas	844.93	J/mol×K	757.67	Calculated Property
Cp,gas	896.56	J/mol×K	838.44	Calculated Property
Cp,gas	947.05	J/mol×K	919.22	Calculated Property
Cp,gas	999.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to labd-7,13-dien-15-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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