Chemical Properties of Hexadecanoic acid, 1,4-butanediyl ester (CAS 26719-63-1)

InChI

InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(37)39-33-29-30-34-40-36(38)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChI Key

UXPYIAWFQKSHNV-UHFFFAOYSA-N

Formula

C36H70O4

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCC

Molecular Weight¹

566.94

CAS

26719-63-1

Other Names

• 1,4-Butanediol dipalmitate
• Di-O-palmitoylbutane-1,4-diol
• Palmitic acid, tetramethylene ester

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[801.85; 1892.82]	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			2.09820e+01
Coefficient B			3.31424e+00
Coefficient C			-1.74540e-03
Coefficient D			3.03000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	801.85	J/mol×K	273.00	Calculated Property
Cp,gas	988.45	J/mol×K	353.78	Calculated Property
Cp,gas	1156.47	J/mol×K	434.56	Calculated Property
Cp,gas	1306.86	J/mol×K	515.33	Calculated Property
Cp,gas	1440.60	J/mol×K	596.11	Calculated Property
Cp,gas	1558.62	J/mol×K	676.89	Calculated Property
Cp,gas	1661.90	J/mol×K	757.67	Calculated Property
Cp,gas	1751.38	J/mol×K	838.44	Calculated Property
Cp,gas	1828.04	J/mol×K	919.22	Calculated Property
Cp,gas	1892.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001394; 0.0000043]	Pa×s	[580.14; 1055.37]	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			-1.65997e+01
Coefficient B			4.47964e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			580.14
Temperature range, max.			1055.37
η	0.0001394	Pa×s	580.14	Calculated Property
η	0.0000732	Pa×s	632.94	Calculated Property
η	0.0000424	Pa×s	685.75	Calculated Property
η	0.0000266	Pa×s	738.55	Calculated Property
η	0.0000178	Pa×s	791.35	Calculated Property
η	0.0000125	Pa×s	844.16	Calculated Property
η	0.0000091	Pa×s	896.96	Calculated Property
η	0.0000069	Pa×s	949.77	Calculated Property
η	0.0000054	Pa×s	1002.57	Calculated Property
η	0.0000043	Pa×s	1055.37	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 1,4-butanediyl ester.

Sources

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

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