Chemical Properties of Succinic acid, di(2-bromophenethyl) ester

InChI

InChI=1S/C20H20Br2O4/c21-17-7-3-1-5-15(17)11-13-25-19(23)9-10-20(24)26-14-12-16-6-2-4-8-18(16)22/h1-8H,9-14H2

InChI Key

MJZCFFWUVRXJNW-UHFFFAOYSA-N

Formula

C20H20Br2O4

SMILES

O=C(CCC(=O)OCCc1ccccc1Br)OCCc1ccccc1Br

Molecular Weight¹

484.18

• 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.
• 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

Property	Value	Unit	Source
ΔfusH°	54.17	kJ/mol	Joback Calculated Property
logPoct/wat	4.863		Crippen Calculated Property
McVol	295.020	ml/mol	McGowan Calculated Property
Inp	[3172.00; 3172.00]
Inp	3172.00		NIST
Inp	3172.00		NIST
Tboil	711.71	K	Relay (1.0) Calculated Property
Tfus	353.51	K	Relay (1.0) Calculated Property

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	[380.99; 842.38]	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			1.26960e+01
Coefficient B			1.59380e+00
Coefficient C			-9.46120e-04
Coefficient D			1.82000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.99	J/mol×K	273.00	Calculated Property
Cp,gas	466.19	J/mol×K	353.78	Calculated Property
Cp,gas	541.56	J/mol×K	434.56	Calculated Property
Cp,gas	607.68	J/mol×K	515.33	Calculated Property
Cp,gas	665.13	J/mol×K	596.11	Calculated Property
Cp,gas	714.47	J/mol×K	676.89	Calculated Property
Cp,gas	756.30	J/mol×K	757.67	Calculated Property
Cp,gas	791.17	J/mol×K	838.44	Calculated Property
Cp,gas	819.67	J/mol×K	919.22	Calculated Property
Cp,gas	842.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002440; 0.0000433]	Pa×s	[597.30; 846.48]	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			-1.41895e+01
Coefficient B			3.50696e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			597.30
Temperature range, max.			846.48
η	0.0002440	Pa×s	597.30	Calculated Property
η	0.0001881	Pa×s	624.99	Calculated Property
η	0.0001483	Pa×s	652.67	Calculated Property
η	0.0001192	Pa×s	680.36	Calculated Property
η	0.0000974	Pa×s	708.04	Calculated Property
η	0.0000809	Pa×s	735.73	Calculated Property
η	0.0000680	Pa×s	763.42	Calculated Property
η	0.0000579	Pa×s	791.10	Calculated Property
η	0.0000499	Pa×s	818.79	Calculated Property
η	0.0000433	Pa×s	846.48	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2-bromophenethyl) 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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