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

InChI

InChI=1S/C23H35BrO5/c1-5-8-9-10-11-12-13-16-28-21(25)23(6-2,7-3)22(26)29-19-15-14-18(24)17-20(19)27-4/h14-15,17H,5-13,16H2,1-4H3

InChI Key

NIPXWOGZCVTIDX-UHFFFAOYSA-N

Formula

C23H35BrO5

SMILES

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

Molecular Weight¹

471.43

• 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	[501.85; 1126.57]	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			3.67100e+01
Coefficient B			1.98218e+00
Coefficient C			-1.06752e-03
Coefficient D			1.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	501.85	J/mol×K	273.00	Calculated Property
Cp,gas	612.11	J/mol×K	353.78	Calculated Property
Cp,gas	710.87	J/mol×K	434.56	Calculated Property
Cp,gas	798.67	J/mol×K	515.33	Calculated Property
Cp,gas	876.08	J/mol×K	596.11	Calculated Property
Cp,gas	943.65	J/mol×K	676.89	Calculated Property
Cp,gas	1001.92	J/mol×K	757.67	Calculated Property
Cp,gas	1051.47	J/mol×K	838.44	Calculated Property
Cp,gas	1092.83	J/mol×K	919.22	Calculated Property
Cp,gas	1126.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001842; 0.0000226]	Pa×s	[569.54; 827.73]	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			-1.53312e+01
Coefficient B			3.83387e+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.			569.54
Temperature range, max.			827.73
η	0.0001842	Pa×s	569.54	Calculated Property
η	0.0001334	Pa×s	598.23	Calculated Property
η	0.0000995	Pa×s	626.92	Calculated Property
η	0.0000761	Pa×s	655.60	Calculated Property
η	0.0000596	Pa×s	684.29	Calculated Property
η	0.0000475	Pa×s	712.98	Calculated Property
η	0.0000386	Pa×s	741.67	Calculated Property
η	0.0000318	Pa×s	770.36	Calculated Property
η	0.0000266	Pa×s	799.05	Calculated Property
η	0.0000226	Pa×s	827.73	Calculated Property

Similar Compounds

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