Chemical Properties of 17-Norkaur-15-ene, 13-methyl-, (8«beta»,13«beta»)- (CAS 3564-54-3)

InChI

InChI=1S/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3

InChI Key

GXMKKDDGINQVBE-UHFFFAOYSA-N

Formula

C20H32

SMILES

CC12C=CC3(CCC4C(C)(C)CCCC4(C)C3CC1)C2

Molecular Weight¹

272.47

CAS

3564-54-3

Other Names

• 17-Nor-8«beta»,13«beta»-kaur-15-ene, 13-methyl-
• (+)-Beyerene
• (+)-Hibaene
• (+)-Stachene
• ent-Beyer-15-ene
• Beyerene
• Hibaene, (+)-
• Stachen
• Stachene
• Stachene, (+)-
• Stach-15-ene, (+)-
• Hibaene

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.87	kJ/mol	Joback Calculated Property
logPoct/wat	5.975		Crippen Calculated Property
McVol	244.920	ml/mol	McGowan Calculated Property
Inp	[1913.00; 1962.00]
Inp	1913.00		NIST
Inp	1913.00		NIST
Inp	1941.00		NIST
Inp	1924.00		NIST
Inp	1951.00		NIST
Inp	1962.00		NIST
Inp	1913.00		NIST
Inp	1924.00		NIST
Ip	[2200.00; 2241.00]
Ip	2200.00		NIST
Ip	2241.00		NIST
Ip	2200.00		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	[298.76; 988.55]	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			-4.17050e+02
Coefficient B			3.52768e+00
Coefficient C			-3.76628e-03
Coefficient D			1.64420e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.76	J/mol×K	273.00	Calculated Property
Cp,gas	432.38	J/mol×K	353.78	Calculated Property
Cp,gas	539.63	J/mol×K	434.56	Calculated Property
Cp,gas	625.70	J/mol×K	515.33	Calculated Property
Cp,gas	695.78	J/mol×K	596.11	Calculated Property
Cp,gas	755.09	J/mol×K	676.89	Calculated Property
Cp,gas	808.83	J/mol×K	757.67	Calculated Property
Cp,gas	862.18	J/mol×K	838.44	Calculated Property
Cp,gas	920.35	J/mol×K	919.22	Calculated Property
Cp,gas	988.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 17-Norkaur-15-ene, 13-methyl-, (8«beta»,13«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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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