Chemical Properties of Diethylmalonic acid, 2-isopropylphenyl tetradecyl ester

InChI

InChI=1S/C30H50O4/c1-6-9-10-11-12-13-14-15-16-17-18-21-24-33-28(31)30(7-2,8-3)29(32)34-27-23-20-19-22-26(27)25(4)5/h19-20,22-23,25H,6-18,21,24H2,1-5H3

InChI Key

LIJPYWVOKLGHGF-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

474.72

• 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	[618.09; 1463.71]	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			-1.93250e+01
Coefficient B			2.73760e+00
Coefficient C			-1.55816e-03
Coefficient D			3.03600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	618.09	J/mol×K	273.00	Calculated Property
Cp,gas	767.60	J/mol×K	353.78	Calculated Property
Cp,gas	900.99	J/mol×K	434.56	Calculated Property
Cp,gas	1019.20	J/mol×K	515.33	Calculated Property
Cp,gas	1123.21	J/mol×K	596.11	Calculated Property
Cp,gas	1213.97	J/mol×K	676.89	Calculated Property
Cp,gas	1292.44	J/mol×K	757.67	Calculated Property
Cp,gas	1359.58	J/mol×K	838.44	Calculated Property
Cp,gas	1416.35	J/mol×K	919.22	Calculated Property
Cp,gas	1463.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002502; 0.0000120]	Pa×s	[538.88; 886.03]	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			-1.60413e+01
Coefficient B			4.17520e+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.			538.88
Temperature range, max.			886.03
η	0.0002502	Pa×s	538.88	Calculated Property
η	0.0001491	Pa×s	577.45	Calculated Property
η	0.0000948	Pa×s	616.02	Calculated Property
η	0.0000636	Pa×s	654.60	Calculated Property
η	0.0000446	Pa×s	693.17	Calculated Property
η	0.0000325	Pa×s	731.74	Calculated Property
η	0.0000244	Pa×s	770.31	Calculated Property
η	0.0000188	Pa×s	808.89	Calculated Property
η	0.0000149	Pa×s	847.46	Calculated Property
η	0.0000120	Pa×s	886.03	Calculated Property

Similar Compounds

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

Sources

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

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