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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.79	kJ/mol	Joback Calculated Property
logPoct/wat	5.975		Crippen Calculated Property
McVol	244.920	ml/mol	McGowan 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	2017.00		NIST
Inp	1971.00		NIST
Inp	1983.00		NIST
Inp	Outlier 2059.00		NIST
Inp	2012.00		NIST
I	[2319.00; 2362.00]
I	2319.00		NIST
I	2362.00		NIST
I	2319.00		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.

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

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.