Chemical Properties of Kolavenol (CAS 19941-83-4)

InChI

InChI=1S/C20H34O/c1-15(11-14-21)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-11+

InChI Key

PQTMZYKTDFKGKV-RVDMUPIBSA-N

Formula

C20H34O

SMILES

CC(=CCO)CCC1(C)C(C)CCC2(C)C(C)=CCCC21

Molecular Weight¹

290.48

CAS

19941-83-4

• 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	0.6348		Relay (1.0) Calculated Property
ΔfG°	119.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-345.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.79	kJ/mol	Joback Calculated Property
ΔvapH°	109.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	5.504		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Pc	1497.67	kPa	Joback Calculated Property
Inp	[2260.00; 2297.30]
Inp	2260.00		NIST
Inp	2297.30		NIST
Inp	2297.30		NIST
Inp	2260.00		NIST
Tboil	627.00	K	Relay (1.0) Calculated Property
Tc	860.58	K	Relay (1.0) Calculated Property
Tfus	333.53	K	Relay (1.0) Calculated Property
Vc	0.889	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.87; 989.37]	J/mol×K	[779.06; 985.17]
Cp,gas	858.87	J/mol×K	779.06	Joback Calculated Property
Cp,gas	880.81	J/mol×K	813.41	Joback Calculated Property
Cp,gas	902.39	J/mol×K	847.76	Joback Calculated Property
Cp,gas	923.82	J/mol×K	882.11	Joback Calculated Property
Cp,gas	945.31	J/mol×K	916.47	Joback Calculated Property
Cp,gas	967.09	J/mol×K	950.82	Joback Calculated Property
Cp,gas	989.37	J/mol×K	985.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Kolavenol.

Sources

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

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