Chemical Properties of Malonic acid, beta-bromophenethyl-, diethyl ester

InChI

InChI=1S/C15H19BrO4/c1-3-19-14(17)12(15(18)20-4-2)10-13(16)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3

InChI Key

QNUOOZOJYQNGMC-UHFFFAOYSA-N

Formula

C15H19BrO4

SMILES

CCOC(=O)C(CC(Br)c1ccccc1)C(=O)OCC

Molecular Weight¹

343.22

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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	[312.46; 701.03]	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			1.09930e+01
Coefficient B			1.29034e+00
Coefficient C			-7.12000e-04
Coefficient D			1.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.46	J/mol×K	273.00	Calculated Property
Cp,gas	383.32	J/mol×K	353.78	Calculated Property
Cp,gas	446.43	J/mol×K	434.56	Calculated Property
Cp,gas	502.15	J/mol×K	515.33	Calculated Property
Cp,gas	550.83	J/mol×K	596.11	Calculated Property
Cp,gas	592.83	J/mol×K	676.89	Calculated Property
Cp,gas	628.49	J/mol×K	757.67	Calculated Property
Cp,gas	658.18	J/mol×K	838.44	Calculated Property
Cp,gas	682.24	J/mol×K	919.22	Calculated Property
Cp,gas	701.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017525; 0.0000901]	Pa×s	[399.69; 676.93]	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			-1.35926e+01
Coefficient B			2.89612e+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.			399.69
Temperature range, max.			676.93
η	0.0017525	Pa×s	399.69	Calculated Property
η	0.0010435	Pa×s	430.49	Calculated Property
η	0.0006659	Pa×s	461.30	Calculated Property
η	0.0004495	Pa×s	492.10	Calculated Property
η	0.0003178	Pa×s	522.91	Calculated Property
η	0.0002335	Pa×s	553.71	Calculated Property
η	0.0001773	Pa×s	584.51	Calculated Property
η	0.0001383	Pa×s	615.32	Calculated Property
η	0.0001105	Pa×s	646.12	Calculated Property
η	0.0000901	Pa×s	676.93	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, beta-bromophenethyl-, diethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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