Chemical Properties of Succinic acid, di(5-bromo-2-methoxybenzyl) ester

InChI

InChI=1S/C20H20Br2O6/c1-25-17-5-3-15(21)9-13(17)11-27-19(23)7-8-20(24)28-12-14-10-16(22)4-6-18(14)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3

InChI Key

FYTWYJFPHCSPSQ-UHFFFAOYSA-N

Formula

C20H20Br2O6

SMILES

COc1ccc(Br)cc1COC(=O)CCC(=O)OCc1cc(Br)ccc1OC

Molecular Weight¹

516.18

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.77	kJ/mol	Joback Calculated Property
logPoct/wat	4.796		Crippen Calculated Property
McVol	306.760	ml/mol	McGowan Calculated Property
Inp	[3371.00; 3371.00]
Inp	3371.00		NIST
Inp	3371.00		NIST
Tboil	712.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[416.90; 873.29]	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			9.22940e+01
Coefficient B			1.34844e+00
Coefficient C			-5.90040e-04
Coefficient D			2.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	416.90	J/mol×K	273.00	Calculated Property
Cp,gas	496.49	J/mol×K	353.78	Calculated Property
Cp,gas	568.70	J/mol×K	434.56	Calculated Property
Cp,gas	633.59	J/mol×K	515.33	Calculated Property
Cp,gas	691.23	J/mol×K	596.11	Calculated Property
Cp,gas	741.70	J/mol×K	676.89	Calculated Property
Cp,gas	785.07	J/mol×K	757.67	Calculated Property
Cp,gas	821.42	J/mol×K	838.44	Calculated Property
Cp,gas	850.80	J/mol×K	919.22	Calculated Property
Cp,gas	873.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000973; 0.0000251]	Pa×s	[666.80; 885.90]	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			-1.47095e+01
Coefficient B			3.64862e+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.			666.80
Temperature range, max.			885.90
η	0.0000973	Pa×s	666.80	Calculated Property
η	0.0000802	Pa×s	691.14	Calculated Property
η	0.0000671	Pa×s	715.49	Calculated Property
η	0.0000567	Pa×s	739.83	Calculated Property
η	0.0000485	Pa×s	764.18	Calculated Property
η	0.0000418	Pa×s	788.52	Calculated Property
η	0.0000364	Pa×s	812.87	Calculated Property
η	0.0000319	Pa×s	837.21	Calculated Property
η	0.0000282	Pa×s	861.55	Calculated Property
η	0.0000251	Pa×s	885.90	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(5-bromo-2-methoxybenzyl) 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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