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/t15-,16?,17?,18?,19-,20-/m0/s1

InChI Key

JCAVDWHQNFTFBW-FOEMKWDFSA-N

Formula

C20H30O

SMILES

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

Molecular Weight¹

286.45

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• 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
ω	0.4314		Relay (1.0) Calculated Property
ΔfG°	233.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.07	kJ/mol	Joback Calculated Property
ΔvapH°	89.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	5.154		Crippen Calculated Property
McVol	246.490	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	630.55	K	Relay (1.0) Calculated Property
Tc	899.55	K	Relay (1.0) Calculated Property
Tfus	372.50	K	Relay (1.0) Calculated Property
Vc	0.870	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.94; 957.77]	J/mol×K	[740.24; 982.40]
Cp,gas	796.94	J/mol×K	740.24	Joback Calculated Property
Cp,gas	822.65	J/mol×K	780.60	Joback Calculated Property
Cp,gas	848.11	J/mol×K	820.96	Joback Calculated Property
Cp,gas	873.84	J/mol×K	861.32	Joback Calculated Property
Cp,gas	900.34	J/mol×K	901.68	Joback Calculated Property
Cp,gas	928.15	J/mol×K	942.04	Joback Calculated Property
Cp,gas	957.77	J/mol×K	982.40	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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