Chemical Properties of Diethylmalonic acid, 4-bromo-2-methoxyphenyl ethyl ester

InChI

InChI=1S/C16H21BrO5/c1-5-16(6-2,14(18)21-7-3)15(19)22-12-9-8-11(17)10-13(12)20-4/h8-10H,5-7H2,1-4H3

InChI Key

WJRNSZVOAVWJBH-UHFFFAOYSA-N

Formula

C16H21BrO5

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

373.24

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[353.35; 765.43]	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			4.30730e+01
Coefficient B			1.31718e+00
Coefficient C			-6.86720e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.35	J/mol×K	273.00	Calculated Property
Cp,gas	427.18	J/mol×K	353.78	Calculated Property
Cp,gas	493.32	J/mol×K	434.56	Calculated Property
Cp,gas	552.07	J/mol×K	515.33	Calculated Property
Cp,gas	603.70	J/mol×K	596.11	Calculated Property
Cp,gas	648.52	J/mol×K	676.89	Calculated Property
Cp,gas	686.81	J/mol×K	757.67	Calculated Property
Cp,gas	718.87	J/mol×K	838.44	Calculated Property
Cp,gas	744.98	J/mol×K	919.22	Calculated Property
Cp,gas	765.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004523; 0.0000597]	Pa×s	[490.65; 714.06]	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			-1.41718e+01
Coefficient B			3.17475e+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.			490.65
Temperature range, max.			714.06
η	0.0004523	Pa×s	490.65	Calculated Property
η	0.0003312	Pa×s	515.47	Calculated Property
η	0.0002496	Pa×s	540.30	Calculated Property
η	0.0001928	Pa×s	565.12	Calculated Property
η	0.0001522	Pa×s	589.94	Calculated Property
η	0.0001225	Pa×s	614.77	Calculated Property
η	0.0001002	Pa×s	639.59	Calculated Property
η	0.0000833	Pa×s	664.41	Calculated Property
η	0.0000701	Pa×s	689.23	Calculated Property
η	0.0000597	Pa×s	714.06	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl ethyl 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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