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

InChI

InChI=1S/C14H15ClO4/c1-3-14(4-2,12(15)17)13(18)19-11-8-6-5-7-10(11)9-16/h5-9H,3-4H2,1-2H3

InChI Key

GDGUNMJGQMVIAZ-UHFFFAOYSA-N

Formula

C14H15ClO4

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1C=O

Molecular Weight¹

282.72

• 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.
• 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, 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	[281.89; 617.68]	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			3.14200e+00
Coefficient B			1.21974e+00
Coefficient C			-7.73860e-04
Coefficient D			1.68660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.89	J/mol×K	273.00	Calculated Property
Cp,gas	345.27	J/mol×K	353.78	Calculated Property
Cp,gas	400.89	J/mol×K	434.56	Calculated Property
Cp,gas	449.28	J/mol×K	515.33	Calculated Property
Cp,gas	490.98	J/mol×K	596.11	Calculated Property
Cp,gas	526.51	J/mol×K	676.89	Calculated Property
Cp,gas	556.42	J/mol×K	757.67	Calculated Property
Cp,gas	581.22	J/mol×K	838.44	Calculated Property
Cp,gas	601.47	J/mol×K	919.22	Calculated Property
Cp,gas	617.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013327; 0.0001655]	Pa×s	[453.08; 677.74]	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			-1.29135e+01
Coefficient B			2.85124e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			453.08
Temperature range, max.			677.74
η	0.0013327	Pa×s	453.08	Calculated Property
η	0.0009595	Pa×s	478.04	Calculated Property
η	0.0007137	Pa×s	503.00	Calculated Property
η	0.0005459	Pa×s	527.97	Calculated Property
η	0.0004278	Pa×s	552.93	Calculated Property
η	0.0003424	Pa×s	577.89	Calculated Property
η	0.0002791	Pa×s	602.85	Calculated Property
η	0.0002313	Pa×s	627.81	Calculated Property
η	0.0001944	Pa×s	652.77	Calculated Property
η	0.0001655	Pa×s	677.74	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-formylphenyl 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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