Chemical Properties of Kaur-16-ene, (8«beta»,13«beta»)- (CAS 20070-61-5)

InChI

InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3

InChI Key

ONVABDHFQKWOSV-UHFFFAOYSA-N

Formula

C20H32

SMILES

C=C1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3

Molecular Weight¹

272.47

CAS

20070-61-5

Other Names

• 8«beta»,13«beta»-Kaur-16-ene
• Phyllocladene, (-)-
• (-)-Phyllocladene

• 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°	333.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-100.29	kJ/mol	Joback Calculated Property
ΔfusH°	13.79	kJ/mol	Joback Calculated Property
ΔvapH°	56.54	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	1693.51	kPa	Joback Calculated Property
Inp	[1971.00; 2059.00]
Inp	1983.00		NIST
Inp	1985.00		NIST
Inp	2015.00		NIST
Inp	1984.00		NIST
Inp	2007.00		NIST
Inp	Outlier 2059.00		NIST
Inp	2017.00		NIST
Inp	2011.00		NIST
Inp	2012.00		NIST
Inp	2011.00		NIST
Inp	1971.00		NIST
Inp	1985.00		NIST
Inp	2017.00		NIST
Inp	2012.00		NIST
Inp	1983.00		NIST
Inp	Outlier 2059.00		NIST
Inp	1971.00		NIST
Inp	2017.00		NIST
I	[2319.00; 2362.00]
I	2319.00		NIST
I	2362.00		NIST
I	2319.00		NIST
Tboil	691.58	K	Joback Calculated Property
Tc	933.36	K	Joback Calculated Property
Tfus	449.74	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.47; 930.06]	J/mol×K	[691.58; 933.36]
Cp,gas	768.47	J/mol×K	691.58	Joback Calculated Property
Cp,gas	795.89	J/mol×K	731.88	Joback Calculated Property
Cp,gas	822.42	J/mol×K	772.17	Joback Calculated Property
Cp,gas	848.59	J/mol×K	812.47	Joback Calculated Property
Cp,gas	874.91	J/mol×K	852.76	Joback Calculated Property
Cp,gas	901.90	J/mol×K	893.06	Joback Calculated Property
Cp,gas	930.06	J/mol×K	933.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Kaur-16-ene, (8«beta»,13«beta»)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.