Chemical Properties of Hexanoic acid, decyl ester

InChI

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

InChI Key

QNKHVQVPARQEKZ-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCCCOC(=O)CCCCC

Molecular Weight¹

256.43

Other Names

• Decyl caproate
• decyl hexanoate

• 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

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	[0.0037627; 0.0001753]	Pa×s	[312.41; 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.			312.41
Temperature range, max.			552.09
η	0.0037627	Pa×s	312.41	Calculated Property
η	0.0021604	Pa×s	339.04	Calculated Property
η	0.0013449	Pa×s	365.67	Calculated Property
η	0.0008928	Pa×s	392.30	Calculated Property
η	0.0006244	Pa×s	418.94	Calculated Property
η	0.0004558	Pa×s	445.57	Calculated Property
η	0.0003447	Pa×s	472.20	Calculated Property
η	0.0002686	Pa×s	498.83	Calculated Property
η	0.0002146	Pa×s	525.46	Calculated Property
η	0.0001753	Pa×s	552.09	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, decyl ester.

Sources

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

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