Chemical Properties of Diethylmalonic acid, 2-isopropylphenyl tridecyl ester

InChI

InChI=1S/C29H48O4/c1-6-9-10-11-12-13-14-15-16-17-20-23-32-27(30)29(7-2,8-3)28(31)33-26-22-19-18-21-25(26)24(4)5/h18-19,21-22,24H,6-17,20,23H2,1-5H3

InChI Key

DOUAILOWUIRNBG-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

460.70

• 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	[596.88; 1412.12]	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			-1.84160e+01
Coefficient B			2.64260e+00
Coefficient C			-1.50376e-03
Coefficient D			2.91700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	596.88	J/mol×K	273.00	Calculated Property
Cp,gas	741.18	J/mol×K	353.78	Calculated Property
Cp,gas	869.91	J/mol×K	434.56	Calculated Property
Cp,gas	983.97	J/mol×K	515.33	Calculated Property
Cp,gas	1084.30	J/mol×K	596.11	Calculated Property
Cp,gas	1171.81	J/mol×K	676.89	Calculated Property
Cp,gas	1247.42	J/mol×K	757.67	Calculated Property
Cp,gas	1312.06	J/mol×K	838.44	Calculated Property
Cp,gas	1366.66	J/mol×K	919.22	Calculated Property
Cp,gas	1412.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002924; 0.0000143]	Pa×s	[527.61; 864.64]	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			-1.58723e+01
Coefficient B			4.08104e+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.			527.61
Temperature range, max.			864.64
η	0.0002924	Pa×s	527.61	Calculated Property
η	0.0001751	Pa×s	565.06	Calculated Property
η	0.0001118	Pa×s	602.51	Calculated Property
η	0.0000752	Pa×s	639.95	Calculated Property
η	0.0000529	Pa×s	677.40	Calculated Property
η	0.0000386	Pa×s	714.85	Calculated Property
η	0.0000290	Pa×s	752.30	Calculated Property
η	0.0000224	Pa×s	789.74	Calculated Property
η	0.0000178	Pa×s	827.19	Calculated Property
η	0.0000143	Pa×s	864.64	Calculated Property

Similar Compounds

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

Sources

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

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