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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.12; 395.12]	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			-2.15800e+01
Coefficient B			9.18900e-01
Coefficient C			-7.18800e-04
Coefficient D			2.16600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.12	J/mol×K	273.00	Calculated Property
Cp,gas	223.13	J/mol×K	353.78	Calculated Property
Cp,gas	259.77	J/mol×K	434.56	Calculated Property
Cp,gas	290.71	J/mol×K	515.33	Calculated Property
Cp,gas	316.64	J/mol×K	596.11	Calculated Property
Cp,gas	338.25	J/mol×K	676.89	Calculated Property
Cp,gas	356.22	J/mol×K	757.67	Calculated Property
Cp,gas	371.23	J/mol×K	838.44	Calculated Property
Cp,gas	383.97	J/mol×K	919.22	Calculated Property
Cp,gas	395.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011356; 0.0002034]	Pa×s	[467.81; 676.80]	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			-1.23500e+01
Coefficient B			2.60544e+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.			467.81
Temperature range, max.			676.80
η	0.0011356	Pa×s	467.81	Calculated Property
η	0.0008727	Pa×s	491.03	Calculated Property
η	0.0006868	Pa×s	514.25	Calculated Property
η	0.0005517	Pa×s	537.47	Calculated Property
η	0.0004514	Pa×s	560.69	Calculated Property
η	0.0003752	Pa×s	583.92	Calculated Property
η	0.0003164	Pa×s	607.14	Calculated Property
η	0.0002701	Pa×s	630.36	Calculated Property
η	0.0002332	Pa×s	653.58	Calculated Property
η	0.0002034	Pa×s	676.80	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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