Chemical Properties of Kaur-16-en-19-al

InChI

InChI=1S/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3

InChI Key

JCAVDWHQNFTFBW-UHFFFAOYSA-N

Formula

C20H30O

SMILES

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

Molecular Weight¹

286.46

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.07	kJ/mol	Joback Calculated Property
logPoct/wat	5.154		Crippen Calculated Property
McVol	246.490	ml/mol	McGowan Calculated Property
Inp	[2330.00; 2361.00]
Inp	2361.00		NIST
Inp	2330.00		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	[310.58; 971.39]	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			-3.41150e+02
Coefficient B			3.14874e+00
Coefficient C			-3.14700e-03
Coefficient D			1.31080e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.58	J/mol×K	273.00	Calculated Property
Cp,gas	436.97	J/mol×K	353.78	Calculated Property
Cp,gas	540.44	J/mol×K	434.56	Calculated Property
Cp,gas	625.15	J/mol×K	515.33	Calculated Property
Cp,gas	695.23	J/mol×K	596.11	Calculated Property
Cp,gas	754.84	J/mol×K	676.89	Calculated Property
Cp,gas	808.11	J/mol×K	757.67	Calculated Property
Cp,gas	859.20	J/mol×K	838.44	Calculated Property
Cp,gas	912.24	J/mol×K	919.22	Calculated Property
Cp,gas	971.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Kaur-16-en-19-al.

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.
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