Chemical Properties of Kaurene

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/t15-,16?,17?,19-,20-/m1/s1

InChI Key

ONVABDHFQKWOSV-GTSVPISWSA-N

Formula

C20H32

SMILES

C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3

Molecular Weight¹

272.48

• 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	[2008.00; 2071.00]
Inp	2019.00		NIST
Inp	2043.00		NIST
Inp	2034.00		NIST
Inp	2041.00		NIST
Inp	2043.00		NIST
Inp	2043.00		NIST
Inp	2036.00		NIST
Inp	2034.00		NIST
Inp	2034.00		NIST
Inp	2045.00		NIST
Inp	2043.00		NIST
Inp	2034.00		NIST
Inp	Outlier 2008.00		NIST
Inp	2038.00		NIST
Inp	Outlier 2071.00		NIST
Inp	2036.00		NIST
Inp	2012.00		NIST
Inp	2048.00		NIST
Inp	2027.00		NIST
Inp	2034.00		NIST
Inp	2025.00		NIST
Inp	2014.00		NIST
Inp	2023.00		NIST
Inp	2025.00		NIST
Inp	2025.00		NIST
Inp	2043.00		NIST
Inp	2034.00		NIST
Inp	2043.00		NIST
Inp	2036.00		NIST
I	[2350.00; 2425.00]
I	2350.00		NIST
I	2393.00		NIST
I	2425.00		NIST
I	2351.00		NIST
I	2399.00		NIST
I	2350.00		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	[768.61; 930.25]	J/mol×K	[691.78; 933.63]
Cp,gas	768.61	J/mol×K	691.78	Joback Calculated Property
Cp,gas	796.03	J/mol×K	732.09	Joback Calculated Property
Cp,gas	822.57	J/mol×K	772.40	Joback Calculated Property
Cp,gas	848.74	J/mol×K	812.70	Joback Calculated Property
Cp,gas	875.07	J/mol×K	853.01	Joback Calculated Property
Cp,gas	902.07	J/mol×K	893.32	Joback Calculated Property
Cp,gas	930.25	J/mol×K	933.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Kaurene.

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.
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