Chemical Properties of Di-(p-bromophenacyl) succinate

InChI

InChI=1S/C20H16Br2O6/c21-15-5-1-13(2-6-15)17(23)11-27-19(25)9-10-20(26)28-12-18(24)14-3-7-16(22)8-4-14/h1-8H,9-12H2

InChI Key

FNERLEDLNAIHAM-UHFFFAOYSA-N

Formula

C20H16Br2O6

SMILES

O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc(Br)cc1

Molecular Weight¹

512.15

• 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).
• IE : Ionization energy (eV).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[382.84; 820.41]	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			2.74140e+01
Coefficient B			1.53780e+00
Coefficient C			-9.08720e-04
Coefficient D			1.63920e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.84	J/mol×K	273.00	Calculated Property
Cp,gas	464.98	J/mol×K	353.78	Calculated Property
Cp,gas	537.52	J/mol×K	434.56	Calculated Property
Cp,gas	601.00	J/mol×K	515.33	Calculated Property
Cp,gas	655.92	J/mol×K	596.11	Calculated Property
Cp,gas	702.82	J/mol×K	676.89	Calculated Property
Cp,gas	742.19	J/mol×K	757.67	Calculated Property
Cp,gas	774.57	J/mol×K	838.44	Calculated Property
Cp,gas	800.47	J/mol×K	919.22	Calculated Property
Cp,gas	820.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001668; 0.0000394]	Pa×s	[697.16; 931.30]	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			-1.44354e+01
Coefficient B			3.99934e+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.			697.16
Temperature range, max.			931.30
η	0.0001668	Pa×s	697.16	Calculated Property
η	0.0001357	Pa×s	723.18	Calculated Property
η	0.0001120	Pa×s	749.19	Calculated Property
η	0.0000936	Pa×s	775.21	Calculated Property
η	0.0000792	Pa×s	801.22	Calculated Property
η	0.0000677	Pa×s	827.24	Calculated Property
η	0.0000584	Pa×s	853.25	Calculated Property
η	0.0000508	Pa×s	879.27	Calculated Property
η	0.0000446	Pa×s	905.28	Calculated Property
η	0.0000394	Pa×s	931.30	Calculated Property

Similar Compounds

Find more compounds similar to Di-(p-bromophenacyl) succinate.

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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