Chemical Properties of Fumaric acid, 4-bromophenyl 3-chlorophenyl ester

InChI

InChI=1S/C16H10BrClO4/c17-11-4-6-13(7-5-11)21-15(19)8-9-16(20)22-14-3-1-2-12(18)10-14/h1-10H/b9-8+

InChI Key

DRLAOBSMEUYVDP-CMDGGOBGSA-N

Formula

C16H10BrClO4

SMILES

O=C(/C=C/C(=O)Oc1cccc(Cl)c1)Oc1ccc(Br)cc1

Molecular Weight¹

381.61

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[281.55; 604.63]	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			6.85000e+00
Coefficient B			1.20240e+00
Coefficient C			-7.61320e-04
Coefficient D			1.56700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.55	J/mol×K	273.00	Calculated Property
Cp,gas	343.88	J/mol×K	353.78	Calculated Property
Cp,gas	398.45	J/mol×K	434.56	Calculated Property
Cp,gas	445.75	J/mol×K	515.33	Calculated Property
Cp,gas	486.27	J/mol×K	596.11	Calculated Property
Cp,gas	520.52	J/mol×K	676.89	Calculated Property
Cp,gas	548.98	J/mol×K	757.67	Calculated Property
Cp,gas	572.16	J/mol×K	838.44	Calculated Property
Cp,gas	590.54	J/mol×K	919.22	Calculated Property
Cp,gas	604.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004496; 0.0000658]	Pa×s	[517.26; 774.57]	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			-1.34936e+01
Coefficient B			2.99310e+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.			517.26
Temperature range, max.			774.57
η	0.0004496	Pa×s	517.26	Calculated Property
η	0.0003320	Pa×s	545.85	Calculated Property
η	0.0002527	Pa×s	574.44	Calculated Property
η	0.0001974	Pa×s	603.03	Calculated Property
η	0.0001577	Pa×s	631.62	Calculated Property
η	0.0001284	Pa×s	660.21	Calculated Property
η	0.0001064	Pa×s	688.80	Calculated Property
η	0.0000895	Pa×s	717.39	Calculated Property
η	0.0000763	Pa×s	745.98	Calculated Property
η	0.0000658	Pa×s	774.57	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-bromophenyl 3-chlorophenyl 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

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