Chemical Properties of Decanoic acid, hexyl ester (CAS 10448-26-7)

InChI

InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3

InChI Key

DGPNTCACXCHFDI-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

256.42

CAS

10448-26-7

Other Names

• hexyl decanoate
• Hexyl caprate

• 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_p : 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	0.8352		Relay (1.0) Calculated Property
ΔfH°gas	-690.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	81.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	5.251		Crippen Calculated Property
McVol	243.740	ml/mol	McGowan Calculated Property
Pc	1323.28	kPa	Joback Calculated Property
Inp	[1763.00; 1784.00]
Inp	1783.80		NIST
Inp	1784.00		NIST
Inp	1763.00		NIST
Inp	1784.00		NIST
Inp	1783.80		NIST
Ip	[1998.00; 2017.00]
Ip	1998.00		NIST
Ip	2017.00		NIST
Ip	2011.00		NIST
Ip	1998.00		NIST
Ip	2011.00		NIST
Ip	2017.00		NIST
Tboil	561.71	K	Relay (1.0) Calculated Property
Tc	743.78	K	Relay (1.0) Calculated Property
Tfus	253.86 ± 1.50	K	NIST
Vc	0.956	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	[361.24; 852.89]	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			1.37530e+01
Coefficient B			1.46904e+00
Coefficient C			-7.52000e-04
Coefficient D			1.22100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.24	J/mol×K	273.00	Calculated Property
Cp,gas	444.75	J/mol×K	353.78	Calculated Property
Cp,gas	520.15	J/mol×K	434.56	Calculated Property
Cp,gas	587.80	J/mol×K	515.33	Calculated Property
Cp,gas	648.11	J/mol×K	596.11	Calculated Property
Cp,gas	701.45	J/mol×K	676.89	Calculated Property
Cp,gas	748.21	J/mol×K	757.67	Calculated Property
Cp,gas	788.78	J/mol×K	838.44	Calculated Property
Cp,gas	823.55	J/mol×K	919.22	Calculated Property
Cp,gas	852.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0191878; 0.0001753]	Pa×s	[253.86; 552.09]	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			-1.26461e+01
Coefficient B			2.20672e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			253.86
Temperature range, max.			552.09
η	0.0191878	Pa×s	253.86	Calculated Property
η	0.0070330	Pa×s	287.00	Calculated Property
η	0.0031732	Pa×s	320.13	Calculated Property
η	0.0016622	Pa×s	353.27	Calculated Property
η	0.0009728	Pa×s	386.41	Calculated Property
η	0.0006197	Pa×s	419.54	Calculated Property
η	0.0004216	Pa×s	452.68	Calculated Property
η	0.0003024	Pa×s	485.82	Calculated Property
η	0.0002262	Pa×s	518.95	Calculated Property
η	0.0001753	Pa×s	552.09	Calculated Property

Similar Compounds

Find more compounds similar to Decanoic acid, hexyl ester.

Sources

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

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