Chemical Properties of 3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate (CAS 76337-16-1)

InChI

InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+

InChI Key

JIGCTXHIECXYRJ-LTGZKZEYSA-N

Formula

C22H42O2

SMILES

CC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

338.57

CAS

76337-16-1

• 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).
• 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
ΔfG°	-35.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-650.62	kJ/mol	Joback Calculated Property
ΔfusH°	43.85	kJ/mol	Joback Calculated Property
ΔvapH°	72.60	kJ/mol	Joback Calculated Property
log10WS	-7.02		Crippen Calculated Property
logPoct/wat	6.935		Crippen Calculated Property
McVol	323.980	ml/mol	McGowan Calculated Property
Pc	974.73	kPa	Joback Calculated Property
Inp	[2232.30; 2232.30]
Inp	2232.30		NIST
Inp	2232.30		NIST
Tboil	781.77	K	Joback Calculated Property
Tc	964.72	K	Joback Calculated Property
Tfus	345.82	K	Joback Calculated Property
Vc	1.254	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1007.80; 1115.63]	J/mol×K	[781.77; 964.72]
Cp,gas	1007.80	J/mol×K	781.77	Joback Calculated Property
Cp,gas	1028.28	J/mol×K	812.26	Joback Calculated Property
Cp,gas	1047.70	J/mol×K	842.75	Joback Calculated Property
Cp,gas	1066.10	J/mol×K	873.25	Joback Calculated Property
Cp,gas	1083.53	J/mol×K	903.74	Joback Calculated Property
Cp,gas	1100.03	J/mol×K	934.23	Joback Calculated Property
Cp,gas	1115.63	J/mol×K	964.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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