Chemical Properties of Diethylmalonic acid, monochloride, 3-methoxyphenyl ester

InChI

InChI=1S/C14H17ClO4/c1-4-14(5-2,12(15)16)13(17)19-11-8-6-7-10(9-11)18-3/h6-9H,4-5H2,1-3H3

InChI Key

AMFOIQKDNGFXOS-UHFFFAOYSA-N

Formula

C14H17ClO4

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(OC)c1

Molecular Weight¹

284.74

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[292.38; 645.40]	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			1.72420e+01
Coefficient B			1.18206e+00
Coefficient C			-6.69860e-04
Coefficient D			1.15960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.38	J/mol×K	273.00	Calculated Property
Cp,gas	356.72	J/mol×K	353.78	Calculated Property
Cp,gas	413.93	J/mol×K	434.56	Calculated Property
Cp,gas	464.37	J/mol×K	515.33	Calculated Property
Cp,gas	508.41	J/mol×K	596.11	Calculated Property
Cp,gas	546.41	J/mol×K	676.89	Calculated Property
Cp,gas	578.75	J/mol×K	757.67	Calculated Property
Cp,gas	605.78	J/mol×K	838.44	Calculated Property
Cp,gas	627.87	J/mol×K	919.22	Calculated Property
Cp,gas	645.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010270; 0.0001159]	Pa×s	[433.31; 656.51]	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			-1.32984e+01
Coefficient B			2.78070e+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.			433.31
Temperature range, max.			656.51
η	0.0010270	Pa×s	433.31	Calculated Property
η	0.0007256	Pa×s	458.11	Calculated Property
η	0.0005313	Pa×s	482.91	Calculated Property
η	0.0004010	Pa×s	507.71	Calculated Property
η	0.0003107	Pa×s	532.51	Calculated Property
η	0.0002463	Pa×s	557.31	Calculated Property
η	0.0001991	Pa×s	582.11	Calculated Property
η	0.0001638	Pa×s	606.91	Calculated Property
η	0.0001369	Pa×s	631.71	Calculated Property
η	0.0001159	Pa×s	656.51	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 3-methoxyphenyl 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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