Chemical Properties of Hexadecanoic acid, 2-methylpropyl ester (CAS 110-34-9)

InChI

InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3

InChI Key

OJIBJRXMHVZPLV-UHFFFAOYSA-N

Formula

C20H40O2

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

312.53

CAS

110-34-9

Other Names

• 2-methylpropyl hexadecanoate
• isobutyl hexadecanoate
• Isobutyl palmitate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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	0.9477		Relay (1.0) Calculated Property
ΔfG°	-118.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-782.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.82	kJ/mol	Joback Calculated Property
ΔvapH°	94.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-6.87		Relay (1.0) Calculated Property
logPoct/wat	6.667		Crippen Calculated Property
McVol	300.100	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[2129.00; 2135.00]
Inp	2135.00		NIST
Inp	2129.00		NIST
Inp	2129.00		NIST
Inp	2135.00		NIST
I	[2367.00; 2367.00]
I	2367.00		NIST
I	2367.00		NIST
Tboil	593.80	K	Relay (1.0) Calculated Property
Tc	767.33	K	Relay (1.0) Calculated Property
Tfus	286.38	K	Relay (1.0) Calculated Property
Vc	1.173	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.95; 1014.26]	J/mol×K	[732.85; 905.32]
Cp,gas	908.95	J/mol×K	732.85	Joback Calculated Property
Cp,gas	928.77	J/mol×K	761.59	Joback Calculated Property
Cp,gas	947.65	J/mol×K	790.34	Joback Calculated Property
Cp,gas	965.61	J/mol×K	819.08	Joback Calculated Property
Cp,gas	982.69	J/mol×K	847.83	Joback Calculated Property
Cp,gas	998.90	J/mol×K	876.57	Joback Calculated Property
Cp,gas	1014.26	J/mol×K	905.32	Joback Calculated Property
η	[0.0000677; 0.0021002]	Pa×s	[372.32; 732.85]
η	0.0021002	Pa×s	372.32	Joback Calculated Property
η	0.0007959	Pa×s	432.41	Joback Calculated Property
η	0.0003822	Pa×s	492.50	Joback Calculated Property
η	0.0002153	Pa×s	552.59	Joback Calculated Property
η	0.0001357	Pa×s	612.67	Joback Calculated Property
η	0.0000929	Pa×s	672.76	Joback Calculated Property
η	0.0000677	Pa×s	732.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 2-methylpropyl ester.

Sources

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

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