Chemical Properties of Adipic acid, 2,2-dichloroethyl pentadecyl ester

InChI

InChI=1S/C23H42Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-28-22(26)17-14-15-18-23(27)29-20-21(24)25/h21H,2-20H2,1H3

InChI Key

QDFMQSCGUQMMII-UHFFFAOYSA-N

Formula

C23H42Cl2O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

453.48

• 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	[552.57; 1239.22]	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			5.68990e+01
Coefficient B			2.09872e+00
Coefficient C			-1.08220e-03
Coefficient D			1.65800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	552.57	J/mol×K	273.00	Calculated Property
Cp,gas	671.27	J/mol×K	353.78	Calculated Property
Cp,gas	778.15	J/mol×K	434.56	Calculated Property
Cp,gas	873.73	J/mol×K	515.33	Calculated Property
Cp,gas	958.53	J/mol×K	596.11	Calculated Property
Cp,gas	1033.08	J/mol×K	676.89	Calculated Property
Cp,gas	1097.90	J/mol×K	757.67	Calculated Property
Cp,gas	1153.51	J/mol×K	838.44	Calculated Property
Cp,gas	1200.44	J/mol×K	919.22	Calculated Property
Cp,gas	1239.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006370; 0.0000325]	Pa×s	[478.47; 786.18]	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			-1.49580e+01
Coefficient B			3.63602e+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.			478.47
Temperature range, max.			786.18
η	0.0006370	Pa×s	478.47	Calculated Property
η	0.0003837	Pa×s	512.66	Calculated Property
η	0.0002463	Pa×s	546.85	Calculated Property
η	0.0001665	Pa×s	581.04	Calculated Property
η	0.0001176	Pa×s	615.23	Calculated Property
η	0.0000862	Pa×s	649.42	Calculated Property
η	0.0000651	Pa×s	683.61	Calculated Property
η	0.0000506	Pa×s	717.80	Calculated Property
η	0.0000402	Pa×s	751.99	Calculated Property
η	0.0000325	Pa×s	786.18	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,2-dichloroethyl pentadecyl ester.

Sources

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

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