Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl hexyl ester

InChI

InChI=1S/C20H29ClO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-15-16-10-12-17(21)13-11-16/h10-13H,4-9,14-15H2,1-3H3

InChI Key

NUILIOMYSMDOND-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

368.89

• 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	[419.67; 955.54]	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			4.33800e+00
Coefficient B			1.78846e+00
Coefficient C			-1.03136e-03
Coefficient D			1.94100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.67	J/mol×K	273.00	Calculated Property
Cp,gas	516.57	J/mol×K	353.78	Calculated Property
Cp,gas	602.69	J/mol×K	434.56	Calculated Property
Cp,gas	678.66	J/mol×K	515.33	Calculated Property
Cp,gas	745.08	J/mol×K	596.11	Calculated Property
Cp,gas	802.58	J/mol×K	676.89	Calculated Property
Cp,gas	851.76	J/mol×K	757.67	Calculated Property
Cp,gas	893.23	J/mol×K	838.44	Calculated Property
Cp,gas	927.62	J/mol×K	919.22	Calculated Property
Cp,gas	955.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006647; 0.0000523]	Pa×s	[471.10; 731.12]	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			-1.44635e+01
Coefficient B			3.36710e+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.			471.10
Temperature range, max.			731.12
η	0.0006647	Pa×s	471.10	Calculated Property
η	0.0004398	Pa×s	499.99	Calculated Property
η	0.0003044	Pa×s	528.88	Calculated Property
η	0.0002189	Pa×s	557.77	Calculated Property
η	0.0001626	Pa×s	586.67	Calculated Property
η	0.0001242	Pa×s	615.56	Calculated Property
η	0.0000972	Pa×s	644.45	Calculated Property
η	0.0000777	Pa×s	673.34	Calculated Property
η	0.0000632	Pa×s	702.23	Calculated Property
η	0.0000523	Pa×s	731.12	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorobenzyl hexyl ester.

Sources

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

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