Chemical Properties of «alpha»,«beta»-Dibromohydrocinnamic acid (CAS 6286-30-2)

InChI

InChI=1S/C9H8Br2O2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13)

InChI Key

FXJWTHBNVZNQQP-UHFFFAOYSA-N

Formula

C9H8Br2O2

SMILES

O=C(O)C(Br)C(Br)c1ccccc1

Molecular Weight¹

307.97

CAS

6286-30-2

Other Names

• 2,3-Dibromo-3-phenylpropionic acid
• 2,3-Dibromohydrocinnamic acid
• Benzenepropanoic acid, «alpha»,«beta»-dibromo-
• Hydrocinnamic acid, «alpha»,«beta»-dibromo-
• 2,3-Dibromo-3-phenylpropanoic acid
• Propionic acid, 2,3-dibromo-3-phenyl-
• alpha,beta-Dibromohydrocinnamic acid

• 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).
• 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[345.82; 390.69]	J/mol×K	[709.15; 966.86]
Cp,gas	345.82	J/mol×K	709.15	Joback Calculated Property
Cp,gas	355.08	J/mol×K	752.10	Joback Calculated Property
Cp,gas	363.49	J/mol×K	795.05	Joback Calculated Property
Cp,gas	371.15	J/mol×K	838.00	Joback Calculated Property
Cp,gas	378.17	J/mol×K	880.96	Joback Calculated Property
Cp,gas	384.65	J/mol×K	923.91	Joback Calculated Property
Cp,gas	390.69	J/mol×K	966.86	Joback Calculated Property
η	[0.0001706; 0.0011356]	Pa×s	[467.81; 709.15]
η	0.0011356	Pa×s	467.81	Joback Calculated Property
η	0.0007307	Pa×s	508.03	Joback Calculated Property
η	0.0005016	Pa×s	548.26	Joback Calculated Property
η	0.0003625	Pa×s	588.48	Joback Calculated Property
η	0.0002731	Pa×s	628.70	Joback Calculated Property
η	0.0002128	Pa×s	668.93	Joback Calculated Property
η	0.0001706	Pa×s	709.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»,«beta»-Dibromohydrocinnamic acid.

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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