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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.86; 693.98]	J/mol×K	[751.20; 967.04]
Cp,gas	625.86	J/mol×K	751.20	Joback Calculated Property
Cp,gas	640.01	J/mol×K	787.17	Joback Calculated Property
Cp,gas	653.00	J/mol×K	823.15	Joback Calculated Property
Cp,gas	664.86	J/mol×K	859.12	Joback Calculated Property
Cp,gas	675.62	J/mol×K	895.09	Joback Calculated Property
Cp,gas	685.32	J/mol×K	931.06	Joback Calculated Property
Cp,gas	693.98	J/mol×K	967.04	Joback Calculated Property
η	[0.0000590; 0.0017525]	Pa×s	[399.69; 751.20]
η	0.0017525	Pa×s	399.69	Joback Calculated Property
η	0.0006940	Pa×s	458.27	Joback Calculated Property
η	0.0003391	Pa×s	516.86	Joback Calculated Property
η	0.0001917	Pa×s	575.45	Joback Calculated Property
η	0.0001204	Pa×s	634.03	Joback Calculated Property
η	0.0000818	Pa×s	692.62	Joback Calculated Property
η	0.0000590	Pa×s	751.20	Joback 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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