Chemical Properties of Adipic acid, 2-chloropropyl heptyl ester

InChI

InChI=1S/C16H29ClO4/c1-3-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-13-14(2)17/h14H,3-13H2,1-2H3

InChI Key

BVAPIZLYVSIXCH-UHFFFAOYSA-N

Formula

C16H29ClO4

SMILES

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

Molecular Weight¹

320.86

• 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	[390.67; 869.81]	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			5.03710e+01
Coefficient B			1.42694e+00
Coefficient C			-6.81000e-04
Coefficient D			7.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.67	J/mol×K	273.00	Calculated Property
Cp,gas	473.21	J/mol×K	353.78	Calculated Property
Cp,gas	547.89	J/mol×K	434.56	Calculated Property
Cp,gas	614.93	J/mol×K	515.33	Calculated Property
Cp,gas	674.56	J/mol×K	596.11	Calculated Property
Cp,gas	727.03	J/mol×K	676.89	Calculated Property
Cp,gas	772.55	J/mol×K	757.67	Calculated Property
Cp,gas	811.37	J/mol×K	838.44	Calculated Property
Cp,gas	843.71	J/mol×K	919.22	Calculated Property
Cp,gas	869.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024118; 0.0001063]	Pa×s	[369.66; 627.96]	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			-1.36170e+01
Coefficient B			2.80558e+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.			369.66
Temperature range, max.			627.96
η	0.0024118	Pa×s	369.66	Calculated Property
η	0.0013959	Pa×s	398.36	Calculated Property
η	0.0008696	Pa×s	427.06	Calculated Property
η	0.0005750	Pa×s	455.76	Calculated Property
η	0.0003993	Pa×s	484.46	Calculated Property
η	0.0002888	Pa×s	513.16	Calculated Property
η	0.0002162	Pa×s	541.86	Calculated Property
η	0.0001666	Pa×s	570.56	Calculated Property
η	0.0001317	Pa×s	599.26	Calculated Property
η	0.0001063	Pa×s	627.96	Calculated Property

Similar Compounds

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

Sources

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

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