Chemical Properties of Eicosanoic acid, isobutyl ester

InChI

InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25)26-22-23(2)3/h23H,4-22H2,1-3H3

InChI Key

WKVHKJPNBFWXHD-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

368.64

Other Names

• Isobutyl arachidate

• 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.
• 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	1.0883		Relay (1.0) Calculated Property
ΔfH°gas	-865.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.18	kJ/mol	Joback Calculated Property
ΔvapH°	111.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-8.12		Relay (1.0) Calculated Property
logPoct/wat	8.227		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	831.46	kPa	Joback Calculated Property
Inp	[2530.00; 2530.00]
Inp	2530.00		NIST
Inp	2530.00		NIST
Tboil	621.19	K	Relay (1.0) Calculated Property
Tc	798.45	K	Relay (1.0) Calculated Property
Tfus	305.00	K	Relay (1.0) Calculated Property
Vc	1.398	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	[1157.23; 1270.38]	J/mol×K	[824.37; 1009.38]
Cp,gas	1157.23	J/mol×K	824.37	Joback Calculated Property
Cp,gas	1178.90	J/mol×K	855.21	Joback Calculated Property
Cp,gas	1199.39	J/mol×K	886.04	Joback Calculated Property
Cp,gas	1218.75	J/mol×K	916.88	Joback Calculated Property
Cp,gas	1237.01	J/mol×K	947.71	Joback Calculated Property
Cp,gas	1254.21	J/mol×K	978.55	Joback Calculated Property
Cp,gas	1270.38	J/mol×K	1009.38	Joback Calculated Property
η	[0.0000384; 0.0012961]	Pa×s	[417.40; 824.37]
η	0.0012961	Pa×s	417.40	Joback Calculated Property
η	0.0004783	Pa×s	485.23	Joback Calculated Property
η	0.0002254	Pa×s	553.06	Joback Calculated Property
η	0.0001252	Pa×s	620.88	Joback Calculated Property
η	0.0000781	Pa×s	688.71	Joback Calculated Property
η	0.0000530	Pa×s	756.54	Joback Calculated Property
η	0.0000384	Pa×s	824.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eicosanoic acid, isobutyl ester.

Sources

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

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