Chemical Properties of Methyl 3,7,11,15-tetramethylhexadec-2-enoate (CAS 64433-35-8)

InChI

InChI=1S/C21H40O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h16-19H,7-15H2,1-6H3/b20-16+

InChI Key

WISPDDYDWJMVMK-CAPFRKAQSA-N

Formula

C21H40O2

SMILES

COC(=O)C=C(C)CCCC(C)CCCC(C)CCCC(C)C

Molecular Weight¹

324.54

CAS

64433-35-8

• 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°	-43.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-629.98	kJ/mol	Joback Calculated Property
ΔfusH°	41.26	kJ/mol	Joback Calculated Property
ΔvapH°	70.37	kJ/mol	Joback Calculated Property
log10WS	-6.60		Crippen Calculated Property
logPoct/wat	6.545		Crippen Calculated Property
McVol	309.890	ml/mol	McGowan Calculated Property
Pc	1035.90	kPa	Joback Calculated Property
Inp	[2185.80; 2185.80]
Inp	2185.80		NIST
Inp	2185.80		NIST
Tboil	758.89	K	Joback Calculated Property
Tc	940.42	K	Joback Calculated Property
Tfus	334.55	K	Joback Calculated Property
Vc	1.198	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[946.66; 1053.05]	J/mol×K	[758.89; 940.42]
Cp,gas	946.66	J/mol×K	758.89	Joback Calculated Property
Cp,gas	966.82	J/mol×K	789.15	Joback Calculated Property
Cp,gas	985.96	J/mol×K	819.40	Joback Calculated Property
Cp,gas	1004.12	J/mol×K	849.66	Joback Calculated Property
Cp,gas	1021.33	J/mol×K	879.91	Joback Calculated Property
Cp,gas	1037.63	J/mol×K	910.17	Joback Calculated Property
Cp,gas	1053.05	J/mol×K	940.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3,7,11,15-tetramethylhexadec-2-enoate.

Sources

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

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