Chemical Properties of 2-Propenoic acid, 3-bromo-, methyl ester, (Z)- (CAS 6214-22-8)

InChI

InChI=1S/C4H5BrO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2-

InChI Key

HGOGNLOBEAIJAM-IHWYPQMZSA-N

Formula

C4H5BrO2

SMILES

COC(=O)C=CBr

Molecular Weight¹

164.99

CAS

6214-22-8

Other Names

• Methyl (2Z)-3-bromo-2-propenoate

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[106.66; 212.29]	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			1.86700e+01
Coefficient B			3.87220e-01
Coefficient C			-2.54400e-04
Coefficient D			6.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	106.66	J/mol×K	273.00	Calculated Property
Cp,gas	126.51	J/mol×K	353.78	Calculated Property
Cp,gas	143.89	J/mol×K	434.56	Calculated Property
Cp,gas	158.98	J/mol×K	515.33	Calculated Property
Cp,gas	171.97	J/mol×K	596.11	Calculated Property
Cp,gas	183.07	J/mol×K	676.89	Calculated Property
Cp,gas	192.46	J/mol×K	757.67	Calculated Property
Cp,gas	200.33	J/mol×K	838.44	Calculated Property
Cp,gas	206.88	J/mol×K	919.22	Calculated Property
Cp,gas	212.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039504; 0.0002625]	Pa×s	[231.89; 437.48]	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			-1.13031e+01
Coefficient B			1.33782e+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.			231.89
Temperature range, max.			437.48
η	0.0039504	Pa×s	231.89	Calculated Property
η	0.0023548	Pa×s	254.73	Calculated Property
η	0.0015285	Pa×s	277.58	Calculated Property
η	0.0010595	Pa×s	300.42	Calculated Property
η	0.0007735	Pa×s	323.26	Calculated Property
η	0.0005886	Pa×s	346.10	Calculated Property
η	0.0004633	Pa×s	368.95	Calculated Property
η	0.0003750	Pa×s	391.79	Calculated Property
η	0.0003107	Pa×s	414.63	Calculated Property
η	0.0002625	Pa×s	437.48	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-bromo-, methyl ester, (Z)-.

Sources

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

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