Chemical Properties of 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)- (CAS 61691-98-3)

InChI

InChI=1S/C22H36O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h10,12,14,16H,7-9,11,13,15,17H2,1-6H3/b19-12+,20-14+,21-16+

InChI Key

NHYSRKKHKHCRGR-RFRQLJORSA-N

Formula

C22H36O2

SMILES

CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

332.52

CAS

61691-98-3

Other Names

• (2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl acetate

• 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	0.6555		Relay (1.0) Calculated Property
ΔfG°	187.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-569.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.09	kJ/mol	Joback Calculated Property
ΔvapH°	102.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	6.695		Crippen Calculated Property
McVol	311.080	ml/mol	McGowan Calculated Property
Pc	1070.76	kPa	Joback Calculated Property
Inp	[2301.50; 2301.50]
Inp	2301.50		NIST
Inp	2301.50		NIST
Tboil	607.73	K	Relay (1.0) Calculated Property
Tc	780.09	K	Relay (1.0) Calculated Property
Tfus	252.27	K	Relay (1.0) Calculated Property
Vc	1.086	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[931.49; 1033.31]	J/mol×K	[795.21; 988.86]
Cp,gas	931.49	J/mol×K	795.21	Joback Calculated Property
Cp,gas	950.47	J/mol×K	827.48	Joback Calculated Property
Cp,gas	968.54	J/mol×K	859.76	Joback Calculated Property
Cp,gas	985.79	J/mol×K	892.03	Joback Calculated Property
Cp,gas	1002.28	J/mol×K	924.31	Joback Calculated Property
Cp,gas	1018.09	J/mol×K	956.58	Joback Calculated Property
Cp,gas	1033.31	J/mol×K	988.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-.

Sources

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

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