Chemical Properties of Tetracosanoic acid, butyl ester

InChI

InChI=1S/C28H56O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(29)30-27-6-4-2/h3-27H2,1-2H3

InChI Key

AKFTUIYQTXLHIH-UHFFFAOYSA-N

Formula

C28H56O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC

Molecular Weight¹

424.75

Other Names

• butyl tetracosanoate

• 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	1.2551		Relay (1.0) Calculated Property
ΔfH°gas	-939.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.65	kJ/mol	Joback Calculated Property
ΔvapH°	134.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-9.18		Relay (1.0) Calculated Property
logPoct/wat	9.932		Crippen Calculated Property
McVol	412.820	ml/mol	McGowan Calculated Property
Pc	657.13	kPa	Joback Calculated Property
Inp	[2973.76; 2973.76]
Inp	2973.76		NIST
Inp	2973.76		NIST
Tboil	644.13	K	Relay (1.0) Calculated Property
Tc	832.02	K	Relay (1.0) Calculated Property
Tfus	310.75	K	Relay (1.0) Calculated Property
Vc	1.629	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.80; 1471.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.84500e+00
Coefficient B			2.60904e+00
Coefficient C			-1.40480e-03
Coefficient D			2.64900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	615.80	J/mol×K	273.00	Calculated Property
Cp,gas	761.77	J/mol×K	353.78	Calculated Property
Cp,gas	893.08	J/mol×K	434.56	Calculated Property
Cp,gas	1010.55	J/mol×K	515.33	Calculated Property
Cp,gas	1115.04	J/mol×K	596.11	Calculated Property
Cp,gas	1207.38	J/mol×K	676.89	Calculated Property
Cp,gas	1288.41	J/mol×K	757.67	Calculated Property
Cp,gas	1358.96	J/mol×K	838.44	Calculated Property
Cp,gas	1419.87	J/mol×K	919.22	Calculated Property
Cp,gas	1471.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008453; 0.0000365]	Pa×s	[447.65; 774.14]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.45295e+01
Coefficient B			3.33664e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			447.65
Temperature range, max.			774.14
η	0.0008453	Pa×s	447.65	Calculated Property
η	0.0004834	Pa×s	483.93	Calculated Property
η	0.0002989	Pa×s	520.20	Calculated Property
η	0.0001968	Pa×s	556.48	Calculated Property
η	0.0001363	Pa×s	592.76	Calculated Property
η	0.0000985	Pa×s	629.04	Calculated Property
η	0.0000738	Pa×s	665.31	Calculated Property
η	0.0000569	Pa×s	701.59	Calculated Property
η	0.0000451	Pa×s	737.87	Calculated Property
η	0.0000365	Pa×s	774.14	Calculated Property

Similar Compounds

Find more compounds similar to Tetracosanoic acid, butyl ester.

Sources

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

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