Chemical Properties of Diethylmalonic acid, monochloride, 2-naphthylmethyl ester

InChI

InChI=1S/C18H19ClO3/c1-3-18(4-2,16(19)20)17(21)22-12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11H,3-4,12H2,1-2H3

InChI Key

IOYZUTNBQPUOLE-UHFFFAOYSA-N

Formula

C18H19ClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

318.80

• ω : Acentric Factor.
• 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).
• 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 Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[320.83; 742.48]	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			-4.33370e+01
Coefficient B			1.62154e+00
Coefficient C			-1.13518e-03
Coefficient D			2.99460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.83	J/mol×K	273.00	Calculated Property
Cp,gas	401.51	J/mol×K	353.78	Calculated Property
Cp,gas	471.52	J/mol×K	434.56	Calculated Property
Cp,gas	531.81	J/mol×K	515.33	Calculated Property
Cp,gas	583.33	J/mol×K	596.11	Calculated Property
Cp,gas	627.02	J/mol×K	676.89	Calculated Property
Cp,gas	663.84	J/mol×K	757.67	Calculated Property
Cp,gas	694.72	J/mol×K	838.44	Calculated Property
Cp,gas	720.62	J/mol×K	919.22	Calculated Property
Cp,gas	742.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010351; 0.0001660]	Pa×s	[488.86; 726.23]	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			-1.24734e+01
Coefficient B			2.73769e+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.			488.86
Temperature range, max.			726.23
η	0.0010351	Pa×s	488.86	Calculated Property
η	0.0007771	Pa×s	515.23	Calculated Property
η	0.0005999	Pa×s	541.61	Calculated Property
η	0.0004744	Pa×s	567.98	Calculated Property
η	0.0003831	Pa×s	594.36	Calculated Property
η	0.0003150	Pa×s	620.73	Calculated Property
η	0.0002632	Pa×s	647.11	Calculated Property
η	0.0002230	Pa×s	673.48	Calculated Property
η	0.0001913	Pa×s	699.86	Calculated Property
η	0.0001660	Pa×s	726.23	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-naphthylmethyl ester.

Sources

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

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