Chemical Properties of Diethylmalonic acid, butyl 2-chlorophenyl ester

InChI

InChI=1S/C17H23ClO4/c1-4-7-12-21-15(19)17(5-2,6-3)16(20)22-14-11-9-8-10-13(14)18/h8-11H,4-7,12H2,1-3H3

InChI Key

XNHPRBYQSCHXED-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

326.82

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.03; 800.76]	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			7.06500e+00
Coefficient B			1.50346e+00
Coefficient C			-8.68160e-04
Coefficient D			1.58400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.03	J/mol×K	273.00	Calculated Property
Cp,gas	437.31	J/mol×K	353.78	Calculated Property
Cp,gas	509.46	J/mol×K	434.56	Calculated Property
Cp,gas	572.97	J/mol×K	515.33	Calculated Property
Cp,gas	628.35	J/mol×K	596.11	Calculated Property
Cp,gas	676.09	J/mol×K	676.89	Calculated Property
Cp,gas	716.71	J/mol×K	757.67	Calculated Property
Cp,gas	750.69	J/mol×K	838.44	Calculated Property
Cp,gas	778.54	J/mol×K	919.22	Calculated Property
Cp,gas	800.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009744; 0.0000760]	Pa×s	[437.29; 685.12]	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			-1.39876e+01
Coefficient B			3.08462e+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.			437.29
Temperature range, max.			685.12
η	0.0009744	Pa×s	437.29	Calculated Property
η	0.0006416	Pa×s	464.83	Calculated Property
η	0.0004427	Pa×s	492.36	Calculated Property
η	0.0003177	Pa×s	519.90	Calculated Property
η	0.0002357	Pa×s	547.44	Calculated Property
η	0.0001800	Pa×s	574.97	Calculated Property
η	0.0001408	Pa×s	602.51	Calculated Property
η	0.0001126	Pa×s	630.05	Calculated Property
η	0.0000917	Pa×s	657.59	Calculated Property
η	0.0000760	Pa×s	685.12	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2-chlorophenyl ester.

Sources

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

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