Chemical Properties of Adipic acid, 2-chloropropyl hexadecyl ester

InChI

InChI=1S/C25H47ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-24(27)19-16-17-20-25(28)30-22-23(2)26/h23H,3-22H2,1-2H3

InChI Key

ITAUICWLDAISFM-UHFFFAOYSA-N

Formula

C25H47ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCC(C)Cl

Molecular Weight¹

447.10

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.59; 1334.13]	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			4.21900e+01
Coefficient B			2.28194e+00
Coefficient C			-1.17060e-03
Coefficient D			1.80600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	581.59	J/mol×K	273.00	Calculated Property
Cp,gas	710.98	J/mol×K	353.78	Calculated Property
Cp,gas	827.59	J/mol×K	434.56	Calculated Property
Cp,gas	931.99	J/mol×K	515.33	Calculated Property
Cp,gas	1024.76	J/mol×K	596.11	Calculated Property
Cp,gas	1106.48	J/mol×K	676.89	Calculated Property
Cp,gas	1177.70	J/mol×K	757.67	Calculated Property
Cp,gas	1239.00	J/mol×K	838.44	Calculated Property
Cp,gas	1290.95	J/mol×K	919.22	Calculated Property
Cp,gas	1334.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006610; 0.0000281]	Pa×s	[471.09; 794.88]	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			-1.50762e+01
Coefficient B			3.65302e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			471.09
Temperature range, max.			794.88
η	0.0006610	Pa×s	471.09	Calculated Property
η	0.0003813	Pa×s	507.07	Calculated Property
η	0.0002366	Pa×s	543.04	Calculated Property
η	0.0001558	Pa×s	579.02	Calculated Property
η	0.0001077	Pa×s	615.00	Calculated Property
η	0.0000776	Pa×s	650.97	Calculated Property
η	0.0000578	Pa×s	686.95	Calculated Property
η	0.0000444	Pa×s	722.93	Calculated Property
η	0.0000349	Pa×s	758.90	Calculated Property
η	0.0000281	Pa×s	794.88	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2-chloropropyl hexadecyl ester.

Sources

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

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