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_p : 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
Ip	[2319.00; 2362.00]
Ip	2319.00		NIST
Ip	2362.00		NIST
Ip	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.67; 980.61]	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			-3.52550e+02
Coefficient B			3.17426e+00
Coefficient C			-3.15400e-03
Coefficient D			1.31290e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.67	J/mol×K	273.00	Calculated Property
Cp,gas	433.82	J/mol×K	353.78	Calculated Property
Cp,gas	538.98	J/mol×K	434.56	Calculated Property
Cp,gas	625.33	J/mol×K	515.33	Calculated Property
Cp,gas	697.00	J/mol×K	596.11	Calculated Property
Cp,gas	758.15	J/mol×K	676.89	Calculated Property
Cp,gas	812.94	J/mol×K	757.67	Calculated Property
Cp,gas	865.51	J/mol×K	838.44	Calculated Property
Cp,gas	920.02	J/mol×K	919.22	Calculated Property
Cp,gas	980.61	J/mol×K	1000.00	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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