Chemical Properties of Glutaric acid, 2-(4-bromophenyl)ethyl butyl ester

InChI

InChI=1S/C17H23BrO4/c1-2-3-12-21-16(19)5-4-6-17(20)22-13-11-14-7-9-15(18)10-8-14/h7-10H,2-6,11-13H2,1H3

InChI Key

UOGYRXUYZOLRKA-UHFFFAOYSA-N

Formula

C17H23BrO4

SMILES

CCCCOC(=O)CCCC(=O)OCCc1ccc(Br)cc1

Molecular Weight¹

371.27

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

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[358.07; 800.10]	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			2.68380e+01
Coefficient B			1.40902e+00
Coefficient C			-7.47360e-04
Coefficient D			1.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.07	J/mol×K	273.00	Calculated Property
Cp,gas	436.72	J/mol×K	353.78	Calculated Property
Cp,gas	507.16	J/mol×K	434.56	Calculated Property
Cp,gas	569.75	J/mol×K	515.33	Calculated Property
Cp,gas	624.84	J/mol×K	596.11	Calculated Property
Cp,gas	672.77	J/mol×K	676.89	Calculated Property
Cp,gas	713.92	J/mol×K	757.67	Calculated Property
Cp,gas	748.62	J/mol×K	838.44	Calculated Property
Cp,gas	777.23	J/mol×K	919.22	Calculated Property
Cp,gas	800.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007569; 0.0000858]	Pa×s	[464.75; 706.53]	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			-1.35501e+01
Coefficient B			2.95754e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			464.75
Temperature range, max.			706.53
η	0.0007569	Pa×s	464.75	Calculated Property
η	0.0005345	Pa×s	491.61	Calculated Property
η	0.0003914	Pa×s	518.48	Calculated Property
η	0.0002955	Pa×s	545.34	Calculated Property
η	0.0002291	Pa×s	572.21	Calculated Property
η	0.0001817	Pa×s	599.07	Calculated Property
η	0.0001470	Pa×s	625.94	Calculated Property
η	0.0001210	Pa×s	652.80	Calculated Property
η	0.0001012	Pa×s	679.66	Calculated Property
η	0.0000858	Pa×s	706.53	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(4-bromophenyl)ethyl butyl ester.

Sources

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

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