Chemical Properties of Succinic acid, 5-bromo-2-methoxybenzyl ethyl ester

InChI

InChI=1S/C14H17BrO5/c1-3-19-13(16)6-7-14(17)20-9-10-8-11(15)4-5-12(10)18-2/h4-5,8H,3,6-7,9H2,1-2H3

InChI Key

SKYZUSUQRHAYQL-UHFFFAOYSA-N

Formula

C14H17BrO5

SMILES

CCOC(=O)CCC(=O)OCc1cc(Br)ccc1OC

Molecular Weight¹

345.19

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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°	40.49	kJ/mol	Joback Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	2.844		Crippen Calculated Property
McVol	222.610	ml/mol	McGowan Calculated Property
Pc	2068.00	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	625.58	K	Relay (1.0) Calculated Property
Tc	824.01	K	Relay (1.0) Calculated Property
Tfus	316.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[312.38; 660.78]	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			6.93640e+01
Coefficient B			1.00134e+00
Coefficient C			-4.06120e-04
Coefficient D			-3.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.38	J/mol×K	273.00	Calculated Property
Cp,gas	372.62	J/mol×K	353.78	Calculated Property
Cp,gas	427.50	J/mol×K	434.56	Calculated Property
Cp,gas	477.02	J/mol×K	515.33	Calculated Property
Cp,gas	521.15	J/mol×K	596.11	Calculated Property
Cp,gas	559.91	J/mol×K	676.89	Calculated Property
Cp,gas	593.26	J/mol×K	757.67	Calculated Property
Cp,gas	621.19	J/mol×K	838.44	Calculated Property
Cp,gas	643.71	J/mol×K	919.22	Calculated Property
Cp,gas	660.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005982; 0.0000926]	Pa×s	[465.69; 681.18]	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			-1.33179e+01
Coefficient B			2.74589e+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.			465.69
Temperature range, max.			681.18
η	0.0005982	Pa×s	465.69	Calculated Property
η	0.0004484	Pa×s	489.63	Calculated Property
η	0.0003452	Pa×s	513.58	Calculated Property
η	0.0002721	Pa×s	537.52	Calculated Property
η	0.0002188	Pa×s	561.46	Calculated Property
η	0.0001791	Pa×s	585.41	Calculated Property
η	0.0001490	Pa×s	609.35	Calculated Property
η	0.0001256	Pa×s	633.30	Calculated Property
η	0.0001073	Pa×s	657.24	Calculated Property
η	0.0000926	Pa×s	681.18	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 5-bromo-2-methoxybenzyl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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