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

InChI

InChI=1S/C26H41BrO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3

InChI Key

WTUGAVFRFVSRRG-UHFFFAOYSA-N

Formula

C26H41BrO5

SMILES

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

Molecular Weight¹

513.50

• 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	[565.49; 1281.34]	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			3.39830e+01
Coefficient B			2.26718e+00
Coefficient C			-1.23072e-03
Coefficient D			2.10900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	565.49	J/mol×K	273.00	Calculated Property
Cp,gas	691.36	J/mol×K	353.78	Calculated Property
Cp,gas	804.10	J/mol×K	434.56	Calculated Property
Cp,gas	904.36	J/mol×K	515.33	Calculated Property
Cp,gas	992.81	J/mol×K	596.11	Calculated Property
Cp,gas	1070.13	J/mol×K	676.89	Calculated Property
Cp,gas	1136.97	J/mol×K	757.67	Calculated Property
Cp,gas	1194.01	J/mol×K	838.44	Calculated Property
Cp,gas	1241.91	J/mol×K	919.22	Calculated Property
Cp,gas	1281.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001209; 0.0000137]	Pa×s	[603.35; 885.64]	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			-1.58427e+01
Coefficient B			4.11635e+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.			603.35
Temperature range, max.			885.64
η	0.0001209	Pa×s	603.35	Calculated Property
η	0.0000863	Pa×s	634.72	Calculated Property
η	0.0000636	Pa×s	666.08	Calculated Property
η	0.0000482	Pa×s	697.45	Calculated Property
η	0.0000374	Pa×s	728.81	Calculated Property
η	0.0000296	Pa×s	760.18	Calculated Property
η	0.0000239	Pa×s	791.54	Calculated Property
η	0.0000196	Pa×s	822.91	Calculated Property
η	0.0000163	Pa×s	854.27	Calculated Property
η	0.0000137	Pa×s	885.64	Calculated Property

Similar Compounds

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