Chemical Properties of Malonic acid, beta-bromophenethyl-, diethyl ester (CAS 116400-67-0)

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

343.21

CAS

116400-67-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.52; 701.34]	J/mol×K	[787.14; 1006.59]
Cp,gas	634.52	J/mol×K	787.14	Joback Calculated Property
Cp,gas	648.23	J/mol×K	823.72	Joback Calculated Property
Cp,gas	660.87	J/mol×K	860.29	Joback Calculated Property
Cp,gas	672.48	J/mol×K	896.87	Joback Calculated Property
Cp,gas	683.07	J/mol×K	933.44	Joback Calculated Property
Cp,gas	692.68	J/mol×K	970.02	Joback Calculated Property
Cp,gas	701.34	J/mol×K	1006.59	Joback Calculated Property
η	[0.0000743; 0.0009867]	Pa×s	[459.35; 787.14]
η	0.0009867	Pa×s	459.35	Joback Calculated Property
η	0.0005099	Pa×s	513.98	Joback Calculated Property
η	0.0002991	Pa×s	568.61	Joback Calculated Property
η	0.0001927	Pa×s	623.25	Joback Calculated Property
η	0.0001332	Pa×s	677.88	Joback Calculated Property
η	0.0000973	Pa×s	732.51	Joback Calculated Property
η	0.0000743	Pa×s	787.14	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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