Chemical Properties of Glutaric acid, 2-ethylhexyl 4-bromophenyl ester

InChI

InChI=1S/C19H27BrO4/c1-3-5-7-15(4-2)14-23-18(21)8-6-9-19(22)24-17-12-10-16(20)11-13-17/h10-13,15H,3-9,14H2,1-2H3

InChI Key

FULUOHQFIBPIQK-UHFFFAOYSA-N

Formula

C19H27BrO4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

399.32

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.12	kJ/mol	Joback Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	5.284		Crippen Calculated Property
McVol	287.190	ml/mol	McGowan Calculated Property
Pc	1435.89	kPa	Joback Calculated Property
Inp	[2617.00; 2617.00]
Inp	2617.00		NIST
Inp	2617.00		NIST
Tboil	663.32	K	Relay (1.0) Calculated Property
Tfus	273.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[400.18; 903.82]	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			2.33380e+01
Coefficient B			1.60494e+00
Coefficient C			-8.59360e-04
Coefficient D			1.34900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.18	J/mol×K	273.00	Calculated Property
Cp,gas	489.55	J/mol×K	353.78	Calculated Property
Cp,gas	569.56	J/mol×K	434.56	Calculated Property
Cp,gas	640.66	J/mol×K	515.33	Calculated Property
Cp,gas	703.26	J/mol×K	596.11	Calculated Property
Cp,gas	757.80	J/mol×K	676.89	Calculated Property
Cp,gas	804.70	J/mol×K	757.67	Calculated Property
Cp,gas	844.38	J/mol×K	838.44	Calculated Property
Cp,gas	877.28	J/mol×K	919.22	Calculated Property
Cp,gas	903.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006973; 0.0000612]	Pa×s	[472.29; 738.98]	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			-1.40092e+01
Coefficient B			3.18368e+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.			472.29
Temperature range, max.			738.98
η	0.0006973	Pa×s	472.29	Calculated Property
η	0.0004684	Pa×s	501.92	Calculated Property
η	0.0003289	Pa×s	531.56	Calculated Property
η	0.0002397	Pa×s	561.19	Calculated Property
η	0.0001803	Pa×s	590.82	Calculated Property
η	0.0001394	Pa×s	620.45	Calculated Property
η	0.0001103	Pa×s	650.09	Calculated Property
η	0.0000891	Pa×s	679.72	Calculated Property
η	0.0000733	Pa×s	709.35	Calculated Property
η	0.0000612	Pa×s	738.98	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 4-bromophenyl ester.

Sources

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

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