Chemical Properties of 4-Bromobutanoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C7H10BrClO2/c8-4-1-3-7(10)11-6-2-5-9/h2,5H,1,3-4,6H2/b5-2+

InChI Key

MXEQMDIIUFQSMS-GORDUTHDSA-N

Formula

C7H10BrClO2

SMILES

O=C(CCCBr)OCC=CCl

Molecular Weight¹

241.51

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.94	kJ/mol	Joback Calculated Property
logPoct/wat	2.457		Crippen Calculated Property
McVol	142.370	ml/mol	McGowan Calculated Property
Inp	[1391.00; 1391.00]
Inp	1391.00		NIST
Inp	1391.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[183.70; 375.33]	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			2.88340e+01
Coefficient B			6.79000e-01
Coefficient C			-4.38000e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.70	J/mol×K	273.00	Calculated Property
Cp,gas	218.90	J/mol×K	353.78	Calculated Property
Cp,gas	249.84	J/mol×K	434.56	Calculated Property
Cp,gas	276.86	J/mol×K	515.33	Calculated Property
Cp,gas	300.30	J/mol×K	596.11	Calculated Property
Cp,gas	320.48	J/mol×K	676.89	Calculated Property
Cp,gas	337.74	J/mol×K	757.67	Calculated Property
Cp,gas	352.41	J/mol×K	838.44	Calculated Property
Cp,gas	364.83	J/mol×K	919.22	Calculated Property
Cp,gas	375.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031747; 0.0002480]	Pa×s	[295.62; 510.27]	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			-1.18131e+01
Coefficient B			1.79162e+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.			295.62
Temperature range, max.			510.27
η	0.0031747	Pa×s	295.62	Calculated Property
η	0.0020193	Pa×s	319.47	Calculated Property
η	0.0013678	Pa×s	343.32	Calculated Property
η	0.0009745	Pa×s	367.17	Calculated Property
η	0.0007237	Pa×s	391.02	Calculated Property
η	0.0005561	Pa×s	414.87	Calculated Property
η	0.0004397	Pa×s	438.72	Calculated Property
η	0.0003562	Pa×s	462.57	Calculated Property
η	0.0002946	Pa×s	486.42	Calculated Property
η	0.0002480	Pa×s	510.27	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutanoic acid, 3-chloroprop-2-enyl ester.

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

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.