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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	304.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.51	kJ/mol	Joback Calculated Property
ΔfusH°	9.87	kJ/mol	Joback Calculated Property
ΔvapH°	55.52	kJ/mol	Joback Calculated Property
log10WS	-6.18		Crippen Calculated Property
logPoct/wat	5.975		Crippen Calculated Property
McVol	244.920	ml/mol	McGowan Calculated Property
Pc	1783.35	kPa	Joback 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	1924.00		NIST
Inp	1913.00		NIST
I	[2200.00; 2241.00]
I	2200.00		NIST
I	2241.00		NIST
I	2200.00		NIST
Tboil	691.82	K	Joback Calculated Property
Tc	943.08	K	Joback Calculated Property
Tfus	460.72	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[765.29; 939.22]	J/mol×K	[691.82; 943.08]
Cp,gas	765.29	J/mol×K	691.82	Joback Calculated Property
Cp,gas	793.16	J/mol×K	733.70	Joback Calculated Property
Cp,gas	820.50	J/mol×K	775.57	Joback Calculated Property
Cp,gas	848.06	J/mol×K	817.45	Joback Calculated Property
Cp,gas	876.55	J/mol×K	859.33	Joback Calculated Property
Cp,gas	906.69	J/mol×K	901.20	Joback Calculated Property
Cp,gas	939.22	J/mol×K	943.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 17-Norkaur-15-ene, 13-methyl-, (8«beta»,13«beta»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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