Chemical Properties of Adipic acid, hexyl 2-propylphenyl ester

InChI

InChI=1S/C21H32O4/c1-3-5-6-11-17-24-20(22)15-9-10-16-21(23)25-19-14-8-7-13-18(19)12-4-2/h7-8,13-14H,3-6,9-12,15-17H2,1-2H3

InChI Key

MHCWXZIFDFRNIF-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCCCOC(=O)CCCCC(=O)Oc1ccccc1CCC

Molecular Weight¹

348.48

• 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	[428.94; 997.39]	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			1.50110e+01
Coefficient B			1.75084e+00
Coefficient C			-8.93560e-04
Coefficient D			1.25100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.94	J/mol×K	273.00	Calculated Property
Cp,gas	528.12	J/mol×K	353.78	Calculated Property
Cp,gas	617.38	J/mol×K	434.56	Calculated Property
Cp,gas	697.10	J/mol×K	515.33	Calculated Property
Cp,gas	767.68	J/mol×K	596.11	Calculated Property
Cp,gas	829.52	J/mol×K	676.89	Calculated Property
Cp,gas	883.02	J/mol×K	757.67	Calculated Property
Cp,gas	928.57	J/mol×K	838.44	Calculated Property
Cp,gas	966.56	J/mol×K	919.22	Calculated Property
Cp,gas	997.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008125; 0.0000653]	Pa×s	[450.03; 716.67]	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			-1.38914e+01
Coefficient B			3.04940e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			450.03
Temperature range, max.			716.67
η	0.0008125	Pa×s	450.03	Calculated Property
η	0.0005346	Pa×s	479.66	Calculated Property
η	0.0003693	Pa×s	509.28	Calculated Property
η	0.0002658	Pa×s	538.91	Calculated Property
η	0.0001979	Pa×s	568.53	Calculated Property
η	0.0001517	Pa×s	598.16	Calculated Property
η	0.0001193	Pa×s	627.79	Calculated Property
η	0.0000958	Pa×s	657.41	Calculated Property
η	0.0000785	Pa×s	687.04	Calculated Property
η	0.0000653	Pa×s	716.67	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, hexyl 2-propylphenyl ester.

Sources

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

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