Chemical Properties of (2E)-1-bromo-4-chloro-2-butene

InChI

InChI=1S/C4H6BrCl/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+

InChI Key

KGRDKGJNOYVKPM-OWOJBTEDSA-N

Formula

C4H6BrCl

SMILES

ClCC=CCBr

Molecular Weight¹

169.45

• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[103.73; 212.45]	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			6.15200e+00
Coefficient B			4.48800e-01
Coefficient C			-3.69400e-04
Coefficient D			1.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	103.73	J/mol×K	273.00	Calculated Property
Cp,gas	124.31	J/mol×K	353.78	Calculated Property
Cp,gas	141.84	J/mol×K	434.56	Calculated Property
Cp,gas	156.70	J/mol×K	515.33	Calculated Property
Cp,gas	169.30	J/mol×K	596.11	Calculated Property
Cp,gas	180.04	J/mol×K	676.89	Calculated Property
Cp,gas	189.33	J/mol×K	757.67	Calculated Property
Cp,gas	197.56	J/mol×K	838.44	Calculated Property
Cp,gas	205.13	J/mol×K	919.22	Calculated Property
Cp,gas	212.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033355; 0.0002874]	Pa×s	[219.48; 422.59]	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			-1.08034e+01
Coefficient B			1.11942e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			219.48
Temperature range, max.			422.59
η	0.0033355	Pa×s	219.48	Calculated Property
η	0.0020732	Pa×s	242.05	Calculated Property
η	0.0013975	Pa×s	264.62	Calculated Property
η	0.0010022	Pa×s	287.18	Calculated Property
η	0.0007544	Pa×s	309.75	Calculated Property
η	0.0005903	Pa×s	332.32	Calculated Property
η	0.0004764	Pa×s	354.89	Calculated Property
η	0.0003945	Pa×s	377.46	Calculated Property
η	0.0003338	Pa×s	400.03	Calculated Property
η	0.0002874	Pa×s	422.59	Calculated Property

Similar Compounds

Find more compounds similar to (2E)-1-bromo-4-chloro-2-butene.

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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