Chemical Properties of Glutaric acid, 4-bromophenyl ethyl ester

InChI

InChI=1S/C13H15BrO4/c1-2-17-12(15)4-3-5-13(16)18-11-8-6-10(14)7-9-11/h6-9H,2-5H2,1H3

InChI Key

MQFZHNHAAWDGJF-UHFFFAOYSA-N

Formula

C13H15BrO4

SMILES

CCOC(=O)CCCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

315.16

• ω : Acentric Factor.
• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.22; 593.73]	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			3.04740e+01
Coefficient B			1.02902e+00
Coefficient C			-5.29760e-04
Coefficient D			6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.22	J/mol×K	273.00	Calculated Property
Cp,gas	331.05	J/mol×K	353.78	Calculated Property
Cp,gas	382.85	J/mol×K	434.56	Calculated Property
Cp,gas	428.83	J/mol×K	515.33	Calculated Property
Cp,gas	469.19	J/mol×K	596.11	Calculated Property
Cp,gas	504.13	J/mol×K	676.89	Calculated Property
Cp,gas	533.85	J/mol×K	757.67	Calculated Property
Cp,gas	558.56	J/mol×K	838.44	Calculated Property
Cp,gas	578.45	J/mol×K	919.22	Calculated Property
Cp,gas	593.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011499; 0.0001311]	Pa×s	[419.67; 648.69]	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			-1.29179e+01
Coefficient B			2.58090e+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.			419.67
Temperature range, max.			648.69
η	0.0011499	Pa×s	419.67	Calculated Property
η	0.0008091	Pa×s	445.12	Calculated Property
η	0.0005913	Pa×s	470.56	Calculated Property
η	0.0004463	Pa×s	496.01	Calculated Property
η	0.0003462	Pa×s	521.46	Calculated Property
η	0.0002750	Pa×s	546.90	Calculated Property
η	0.0002229	Pa×s	572.35	Calculated Property
η	0.0001840	Pa×s	597.79	Calculated Property
η	0.0001543	Pa×s	623.24	Calculated Property
η	0.0001311	Pa×s	648.69	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-bromophenyl ethyl ester.

Sources

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

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