Chemical Properties of Benzoic acid 2-bromoethyl ester (CAS 939-54-8)

InChI

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

InChI Key

KNBBDZULQFKSIE-UHFFFAOYSA-N

Formula

C9H9BrO2

SMILES

O=C(OCCBr)c1ccccc1

Molecular Weight¹

229.07

CAS

939-54-8

Other Names

• 2-Bromoethyl benzoate

• 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	[169.47; 382.30]	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			-5.59800e+00
Coefficient B			7.63300e-01
Coefficient C			-4.73800e-04
Coefficient D			9.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.47	J/mol×K	273.00	Calculated Property
Cp,gas	209.50	J/mol×K	353.78	Calculated Property
Cp,gas	244.70	J/mol×K	434.56	Calculated Property
Cp,gas	275.40	J/mol×K	515.33	Calculated Property
Cp,gas	301.89	J/mol×K	596.11	Calculated Property
Cp,gas	324.50	J/mol×K	676.89	Calculated Property
Cp,gas	343.54	J/mol×K	757.67	Calculated Property
Cp,gas	359.31	J/mol×K	838.44	Calculated Property
Cp,gas	372.13	J/mol×K	919.22	Calculated Property
Cp,gas	382.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026516; 0.0002314]	Pa×s	[319.74; 549.34]	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			-1.17680e+01
Coefficient B			1.86580e+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.			319.74
Temperature range, max.			549.34
η	0.0026516	Pa×s	319.74	Calculated Property
η	0.0017228	Pa×s	345.25	Calculated Property
η	0.0011878	Pa×s	370.76	Calculated Property
η	0.0008591	Pa×s	396.27	Calculated Property
η	0.0006462	Pa×s	421.79	Calculated Property
η	0.0005021	Pa×s	447.30	Calculated Property
η	0.0004009	Pa×s	472.81	Calculated Property
η	0.0003276	Pa×s	498.32	Calculated Property
η	0.0002730	Pa×s	523.83	Calculated Property
η	0.0002314	Pa×s	549.34	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid 2-bromoethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.