Chemical Properties of Diethylmalonic acid, monochloride, 1-naphthyl ester

InChI

InChI=1S/C17H17ClO3/c1-3-17(4-2,15(18)19)16(20)21-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3

InChI Key

ZMIIMTSBUKCSFR-UHFFFAOYSA-N

Formula

C17H17ClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc2ccccc12

Molecular Weight¹

304.77

• 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).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[299.62; 690.89]	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			-4.24280e+01
Coefficient B			1.52654e+00
Coefficient C			-1.08078e-03
Coefficient D			2.87560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.62	J/mol×K	273.00	Calculated Property
Cp,gas	375.09	J/mol×K	353.78	Calculated Property
Cp,gas	440.44	J/mol×K	434.56	Calculated Property
Cp,gas	496.58	J/mol×K	515.33	Calculated Property
Cp,gas	544.42	J/mol×K	596.11	Calculated Property
Cp,gas	584.86	J/mol×K	676.89	Calculated Property
Cp,gas	618.82	J/mol×K	757.67	Calculated Property
Cp,gas	647.21	J/mol×K	838.44	Calculated Property
Cp,gas	670.93	J/mol×K	919.22	Calculated Property
Cp,gas	690.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011314; 0.0001822]	Pa×s	[477.59; 712.71]	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			-1.23194e+01
Coefficient B			2.64353e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			477.59
Temperature range, max.			712.71
η	0.0011314	Pa×s	477.59	Calculated Property
η	0.0008491	Pa×s	503.71	Calculated Property
η	0.0006555	Pa×s	529.84	Calculated Property
η	0.0005185	Pa×s	555.96	Calculated Property
η	0.0004189	Pa×s	582.09	Calculated Property
η	0.0003446	Pa×s	608.21	Calculated Property
η	0.0002881	Pa×s	634.34	Calculated Property
η	0.0002444	Pa×s	660.46	Calculated Property
η	0.0002098	Pa×s	686.59	Calculated Property
η	0.0001822	Pa×s	712.71	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 1-naphthyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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