Chemical Properties of Amorpha-4,7-dien-11-ol

InChI

InChI=1S/C15H24O/c1-10-5-7-12-11(2)6-8-14(13(12)9-10)15(3,4)16/h8-9,11-13,16H,5-7H2,1-4H3/t11-,12?,13?/m0/s1

InChI Key

NDCHPLODETXAFI-PNESKVBLSA-N

Formula

C15H24O

SMILES

CC1=CC2C(C(C)(C)O)=CC[C@H](C)C2CC1

Molecular Weight¹

220.36

• 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	[262.69; 717.90]	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			-1.00800e+02
Coefficient B			1.59458e+00
Coefficient C			-1.03428e-03
Coefficient D			2.58400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.69	J/mol×K	273.00	Calculated Property
Cp,gas	345.32	J/mol×K	353.78	Calculated Property
Cp,gas	418.03	J/mol×K	434.56	Calculated Property
Cp,gas	481.63	J/mol×K	515.33	Calculated Property
Cp,gas	536.95	J/mol×K	596.11	Calculated Property
Cp,gas	584.81	J/mol×K	676.89	Calculated Property
Cp,gas	626.01	J/mol×K	757.67	Calculated Property
Cp,gas	661.38	J/mol×K	838.44	Calculated Property
Cp,gas	691.74	J/mol×K	919.22	Calculated Property
Cp,gas	717.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038419; 0.0001494]	Pa×s	[366.17; 611.58]	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			-1.36538e+01
Coefficient B			2.96304e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			366.17
Temperature range, max.			611.58
η	0.0038419	Pa×s	366.17	Calculated Property
η	0.0021927	Pa×s	393.44	Calculated Property
η	0.0013458	Pa×s	420.71	Calculated Property
η	0.0008766	Pa×s	447.97	Calculated Property
η	0.0005998	Pa×s	475.24	Calculated Property
η	0.0004276	Pa×s	502.51	Calculated Property
η	0.0003157	Pa×s	529.78	Calculated Property
η	0.0002401	Pa×s	557.05	Calculated Property
η	0.0001873	Pa×s	584.32	Calculated Property
η	0.0001494	Pa×s	611.58	Calculated Property

Similar Compounds

Find more compounds similar to Amorpha-4,7-dien-11-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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