Chemical Properties of Diethylmalonic acid, hexadecyl 2-isopropylphenyl ester

InChI

InChI=1S/C32H54O4/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)36-29-25-22-21-24-28(29)27(4)5/h21-22,24-25,27H,6-20,23,26H2,1-5H3

InChI Key

PRBMNXNMWWQDNX-UHFFFAOYSA-N

Formula

C32H54O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

502.78

• 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	[660.52; 1566.90]	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			-2.11430e+01
Coefficient B			2.92760e+00
Coefficient C			-1.66696e-03
Coefficient D			3.27400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	660.52	J/mol×K	273.00	Calculated Property
Cp,gas	820.44	J/mol×K	353.78	Calculated Property
Cp,gas	963.14	J/mol×K	434.56	Calculated Property
Cp,gas	1089.66	J/mol×K	515.33	Calculated Property
Cp,gas	1201.03	J/mol×K	596.11	Calculated Property
Cp,gas	1298.29	J/mol×K	676.89	Calculated Property
Cp,gas	1382.47	J/mol×K	757.67	Calculated Property
Cp,gas	1454.61	J/mol×K	838.44	Calculated Property
Cp,gas	1515.74	J/mol×K	919.22	Calculated Property
Cp,gas	1566.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001824; 0.0000083]	Pa×s	[561.42; 931.53]	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			-1.63818e+01
Coefficient B			4.36352e+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.			561.42
Temperature range, max.			931.53
η	0.0001824	Pa×s	561.42	Calculated Property
η	0.0001073	Pa×s	602.54	Calculated Property
η	0.0000675	Pa×s	643.67	Calculated Property
η	0.0000450	Pa×s	684.79	Calculated Property
η	0.0000313	Pa×s	725.91	Calculated Property
η	0.0000227	Pa×s	767.04	Calculated Property
η	0.0000170	Pa×s	808.16	Calculated Property
η	0.0000131	Pa×s	849.28	Calculated Property
η	0.0000103	Pa×s	890.41	Calculated Property
η	0.0000083	Pa×s	931.53	Calculated Property

Similar Compounds

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

Sources

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

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