Chemical Properties of Diethylmalonic acid, monochloride, 2,4-dichloronaphth-1-yl ester

InChI

InChI=1S/C17H15Cl3O3/c1-3-17(4-2,15(20)21)16(22)23-14-11-8-6-5-7-10(11)12(18)9-13(14)19/h5-9H,3-4H2,1-2H3

InChI Key

KSMRWOOMQXDVRA-UHFFFAOYSA-N

Formula

C17H15Cl3O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

373.66

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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	[331.53; 701.35]	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			1.19520e+01
Coefficient B			1.42114e+00
Coefficient C			-9.87500e-04
Coefficient D			2.55760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.53	J/mol×K	273.00	Calculated Property
Cp,gas	402.45	J/mol×K	353.78	Calculated Property
Cp,gas	464.03	J/mol×K	434.56	Calculated Property
Cp,gas	517.07	J/mol×K	515.33	Calculated Property
Cp,gas	562.38	J/mol×K	596.11	Calculated Property
Cp,gas	600.77	J/mol×K	676.89	Calculated Property
Cp,gas	633.06	J/mol×K	757.67	Calculated Property
Cp,gas	660.05	J/mol×K	838.44	Calculated Property
Cp,gas	682.54	J/mol×K	919.22	Calculated Property
Cp,gas	701.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006181; 0.0001504]	Pa×s	[562.47; 776.55]	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			-1.25156e+01
Coefficient B			2.88365e+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.			562.47
Temperature range, max.			776.55
η	0.0006181	Pa×s	562.47	Calculated Property
η	0.0005020	Pa×s	586.26	Calculated Property
η	0.0004144	Pa×s	610.04	Calculated Property
η	0.0003470	Pa×s	633.83	Calculated Property
η	0.0002944	Pa×s	657.62	Calculated Property
η	0.0002526	Pa×s	681.41	Calculated Property
η	0.0002190	Pa×s	705.19	Calculated Property
η	0.0001916	Pa×s	728.98	Calculated Property
η	0.0001691	Pa×s	752.77	Calculated Property
η	0.0001504	Pa×s	776.55	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,4-dichloronaphth-1-yl 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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