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 palmitate
• isobutyl hexadecanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfH°gas	-782.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.40	kJ/mol	Joback Calculated Property
ΔvapH°	96.16	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	1024.00	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	771.07	K	Relay (1.0) Calculated Property
Tfus	283.77	K	Relay (1.0) Calculated Property
Vc	1.176	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[899.24; 1005.19]	J/mol×K	[714.98; 884.54]
Cp,gas	899.24	J/mol×K	714.98	Joback Calculated Property
Cp,gas	919.20	J/mol×K	743.24	Joback Calculated Property
Cp,gas	938.21	J/mol×K	771.50	Joback Calculated Property
Cp,gas	956.29	J/mol×K	799.76	Joback Calculated Property
Cp,gas	973.47	J/mol×K	828.02	Joback Calculated Property
Cp,gas	989.76	J/mol×K	856.28	Joback Calculated Property
Cp,gas	1005.19	J/mol×K	884.54	Joback Calculated Property
η	[0.0000605; 0.0032635]	Pa×s	[342.49; 714.98]
η	0.0032635	Pa×s	342.49	Joback Calculated Property
η	0.0010084	Pa×s	404.57	Joback Calculated Property
η	0.0004259	Pa×s	466.65	Joback Calculated Property
η	0.0002202	Pa×s	528.74	Joback Calculated Property
η	0.0001308	Pa×s	590.82	Joback Calculated Property
η	0.0000858	Pa×s	652.90	Joback Calculated Property
η	0.0000605	Pa×s	714.98	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.