Chemical Properties of Hexanoic acid, octadecyl ester (CAS 41927-67-7)

InChI

InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26-24(25)22-20-6-4-2/h3-23H2,1-2H3

InChI Key

GQKMJPMHAWIENG-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCC

Molecular Weight¹

368.64

CAS

41927-67-7

Other Names

• Octadecyl caproate

• 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	[530.95; 1265.62]	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			6.48100e+00
Coefficient B			2.22904e+00
Coefficient C			-1.18720e-03
Coefficient D			2.17300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	530.95	J/mol×K	273.00	Calculated Property
Cp,gas	656.10	J/mol×K	353.78	Calculated Property
Cp,gas	768.77	J/mol×K	434.56	Calculated Property
Cp,gas	869.64	J/mol×K	515.33	Calculated Property
Cp,gas	959.40	J/mol×K	596.11	Calculated Property
Cp,gas	1038.74	J/mol×K	676.89	Calculated Property
Cp,gas	1108.34	J/mol×K	757.67	Calculated Property
Cp,gas	1168.90	J/mol×K	838.44	Calculated Property
Cp,gas	1221.10	J/mol×K	919.22	Calculated Property
Cp,gas	1265.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014701; 0.0000680]	Pa×s	[402.57; 691.62]	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			-1.38752e+01
Coefficient B			2.96000e+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.			402.57
Temperature range, max.			691.62
η	0.0014701	Pa×s	402.57	Calculated Property
η	0.0008539	Pa×s	434.69	Calculated Property
η	0.0005345	Pa×s	466.80	Calculated Property
η	0.0003554	Pa×s	498.92	Calculated Property
η	0.0002482	Pa×s	531.04	Calculated Property
η	0.0001806	Pa×s	563.15	Calculated Property
η	0.0001360	Pa×s	595.27	Calculated Property
η	0.0001055	Pa×s	627.39	Calculated Property
η	0.0000838	Pa×s	659.50	Calculated Property
η	0.0000680	Pa×s	691.62	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, octadecyl ester.

Sources

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

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