Chemical Properties of Diethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C32H54O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-30(33)32(7-2,8-3)31(34)37-29-25-22-21-24-28(29)36-27(4)5/h21-22,24-25,27H,6-20,23,26H2,1-5H3

InChI Key

LWAJEPXWMBSOKJ-UHFFFAOYSA-N

Formula

C32H54O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

518.77

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[675.92; 1585.40]	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			4.35700e+00
Coefficient B			2.86440e+00
Coefficient C			-1.55596e-03
Coefficient D			2.72600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	675.92	J/mol×K	273.00	Calculated Property
Cp,gas	835.05	J/mol×K	353.78	Calculated Property
Cp,gas	977.64	J/mol×K	434.56	Calculated Property
Cp,gas	1104.57	J/mol×K	515.33	Calculated Property
Cp,gas	1216.69	J/mol×K	596.11	Calculated Property
Cp,gas	1314.87	J/mol×K	676.89	Calculated Property
Cp,gas	1399.97	J/mol×K	757.67	Calculated Property
Cp,gas	1472.85	J/mol×K	838.44	Calculated Property
Cp,gas	1534.37	J/mol×K	919.22	Calculated Property
Cp,gas	1585.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001173; 0.0000059]	Pa×s	[583.65; 954.84]	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			-1.67365e+01
Coefficient B			4.48561e+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.			583.65
Temperature range, max.			954.84
η	0.0001173	Pa×s	583.65	Calculated Property
η	0.0000706	Pa×s	624.89	Calculated Property
η	0.0000453	Pa×s	666.14	Calculated Property
η	0.0000306	Pa×s	707.38	Calculated Property
η	0.0000216	Pa×s	748.62	Calculated Property
η	0.0000158	Pa×s	789.87	Calculated Property
η	0.0000119	Pa×s	831.11	Calculated Property
η	0.0000092	Pa×s	872.35	Calculated Property
η	0.0000073	Pa×s	913.60	Calculated Property
η	0.0000059	Pa×s	954.84	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexadecyl 2-isopropoxyphenyl ester.

Sources

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

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