Chemical Properties of Diethylmalonic acid, monochloride, 4-chloro-2-methylphenyl ester

InChI

InChI=1S/C14H16Cl2O3/c1-4-14(5-2,12(16)17)13(18)19-11-7-6-10(15)8-9(11)3/h6-8H,4-5H2,1-3H3

InChI Key

LSPYBBRTGROWTB-UHFFFAOYSA-N

Formula

C14H16Cl2O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

303.18

• 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	[292.93; 632.13]	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			1.89320e+01
Coefficient B			1.19256e+00
Coefficient C			-7.34220e-04
Coefficient D			1.54860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.93	J/mol×K	273.00	Calculated Property
Cp,gas	355.80	J/mol×K	353.78	Calculated Property
Cp,gas	411.22	J/mol×K	434.56	Calculated Property
Cp,gas	459.71	J/mol×K	515.33	Calculated Property
Cp,gas	501.73	J/mol×K	596.11	Calculated Property
Cp,gas	537.79	J/mol×K	676.89	Calculated Property
Cp,gas	568.37	J/mol×K	757.67	Calculated Property
Cp,gas	593.96	J/mol×K	838.44	Calculated Property
Cp,gas	615.05	J/mol×K	919.22	Calculated Property
Cp,gas	632.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009851; 0.0001321]	Pa×s	[453.52; 674.80]	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			-1.30497e+01
Coefficient B			2.77867e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			453.52
Temperature range, max.			674.80
η	0.0009851	Pa×s	453.52	Calculated Property
η	0.0007189	Pa×s	478.11	Calculated Property
η	0.0005410	Pa×s	502.69	Calculated Property
η	0.0004181	Pa×s	527.28	Calculated Property
η	0.0003306	Pa×s	551.87	Calculated Property
η	0.0002667	Pa×s	576.46	Calculated Property
η	0.0002190	Pa×s	601.04	Calculated Property
η	0.0001826	Pa×s	625.63	Calculated Property
η	0.0001544	Pa×s	650.22	Calculated Property
η	0.0001321	Pa×s	674.80	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 4-chloro-2-methylphenyl 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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