Chemical Properties of P-(2-BROMOETHYL)BENZOIC ACID

InChI

InChI=1S/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)

InChI Key

BKMRWJWLBHHGCF-UHFFFAOYSA-N

Formula

C9H9BrO2

SMILES

O=C(O)c1ccc(CCBr)cc1

Molecular Weight¹

229.07

Other Names

• p-(«beta»-Bromoethyl)benzoic acid
• p-(b-Bromoethyl)benzoic acid
• Benzoic acid, 4-(2-bromoethyl)-
• 4-(2-bromoethyl)benzoic acid

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.31; 381.93]	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			-1.21080e+01
Coefficient B			8.09400e-01
Coefficient C			-5.73960e-04
Coefficient D			1.58600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.31	J/mol×K	273.00	Calculated Property
Cp,gas	209.43	J/mol×K	353.78	Calculated Property
Cp,gas	244.25	J/mol×K	434.56	Calculated Property
Cp,gas	274.28	J/mol×K	515.33	Calculated Property
Cp,gas	300.02	J/mol×K	596.11	Calculated Property
Cp,gas	321.98	J/mol×K	676.89	Calculated Property
Cp,gas	340.64	J/mol×K	757.67	Calculated Property
Cp,gas	356.52	J/mol×K	838.44	Calculated Property
Cp,gas	370.12	J/mol×K	919.22	Calculated Property
Cp,gas	381.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010111; 0.0002667]	Pa×s	[450.53; 620.33]	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			-1.17660e+01
Coefficient B			2.19376e+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.			450.53
Temperature range, max.			620.33
η	0.0010111	Pa×s	450.53	Calculated Property
η	0.0008314	Pa×s	469.40	Calculated Property
η	0.0006940	Pa×s	488.26	Calculated Property
η	0.0005872	Pa×s	507.13	Calculated Property
η	0.0005028	Pa×s	526.00	Calculated Property
η	0.0004352	Pa×s	544.86	Calculated Property
η	0.0003803	Pa×s	563.73	Calculated Property
η	0.0003353	Pa×s	582.60	Calculated Property
η	0.0002979	Pa×s	601.46	Calculated Property
η	0.0002667	Pa×s	620.33	Calculated Property

Similar Compounds

Find more compounds similar to P-(2-BROMOETHYL)BENZOIC ACID.

Sources

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

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