Chemical Properties of 2-Butenoic acid, 4-bromo-, ethyl ester, (E)-

InChI

InChI=1S/C6H9BrO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3

InChI Key

FHGRPBSDPBRTLS-ONEGZZNKSA-N

Formula

C6H9BrO2

SMILES

CCOC(=O)/C=C/CBr

Molecular Weight¹

193.04

Other Names

• Ethyl (E)-4-bromo-2-butenoate
• Ethyl «gamma»-bromocrotonate
• Ethyl 4-bromocrotonate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[367.70; 376.50]	K	[1.60; 2.00]
Tboilr	367.70	K	1.60	NIST
Tboilr	376.50 ± 0.50	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.09; 315.47]	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			1.68520e+01
Coefficient B			5.77220e-01
Coefficient C			-3.63200e-04
Coefficient D			8.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.09	J/mol×K	273.00	Calculated Property
Cp,gas	179.35	J/mol×K	353.78	Calculated Property
Cp,gas	206.04	J/mol×K	434.56	Calculated Property
Cp,gas	229.44	J/mol×K	515.33	Calculated Property
Cp,gas	249.80	J/mol×K	596.11	Calculated Property
Cp,gas	267.39	J/mol×K	676.89	Calculated Property
Cp,gas	282.49	J/mol×K	757.67	Calculated Property
Cp,gas	295.36	J/mol×K	838.44	Calculated Property
Cp,gas	306.26	J/mol×K	919.22	Calculated Property
Cp,gas	315.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039037; 0.0002560]	Pa×s	[254.43; 466.16]	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			-1.15441e+01
Coefficient B			1.52614e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.43
Temperature range, max.			466.16
η	0.0039037	Pa×s	254.43	Calculated Property
η	0.0023496	Pa×s	277.96	Calculated Property
η	0.0015308	Pa×s	301.48	Calculated Property
η	0.0010611	Pa×s	325.01	Calculated Property
η	0.0007729	Pa×s	348.53	Calculated Property
η	0.0005860	Pa×s	372.06	Calculated Property
η	0.0004591	Pa×s	395.59	Calculated Property
η	0.0003697	Pa×s	419.11	Calculated Property
η	0.0003047	Pa×s	442.64	Calculated Property
η	0.0002560	Pa×s	466.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 4-bromo-, ethyl ester, (E)-.

Sources

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

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