Chemical Properties of Glutaric acid, 2-ethylhexyl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C20H29BrO5/c1-4-6-8-15(5-2)14-25-19(22)9-7-10-20(23)26-17-12-11-16(21)13-18(17)24-3/h11-13,15H,4-10,14H2,1-3H3

InChI Key

CYHKZMSECOXDBB-UHFFFAOYSA-N

Formula

C20H29BrO5

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc(Br)cc1OC

Molecular Weight¹

429.35

• 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°	52.51	kJ/mol	Joback Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	5.293		Crippen Calculated Property
McVol	307.150	ml/mol	McGowan Calculated Property
Pc	1306.12	kPa	Joback Calculated Property
Inp	[2766.00; 2766.00]
Inp	2766.00		NIST
Inp	2766.00		NIST
Tboil	673.49	K	Relay (1.0) Calculated Property
Tfus	289.15	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	[439.35; 970.87]	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			6.22280e+01
Coefficient B			1.57726e+00
Coefficient C			-7.35720e-04
Coefficient D			6.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.35	J/mol×K	273.00	Calculated Property
Cp,gas	531.12	J/mol×K	353.78	Calculated Property
Cp,gas	614.21	J/mol×K	434.56	Calculated Property
Cp,gas	688.84	J/mol×K	515.33	Calculated Property
Cp,gas	755.23	J/mol×K	596.11	Calculated Property
Cp,gas	813.58	J/mol×K	676.89	Calculated Property
Cp,gas	864.10	J/mol×K	757.67	Calculated Property
Cp,gas	907.02	J/mol×K	838.44	Calculated Property
Cp,gas	942.54	J/mol×K	919.22	Calculated Property
Cp,gas	970.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003467; 0.0000406]	Pa×s	[518.31; 775.84]	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			-1.44277e+01
Coefficient B			3.34867e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			518.31
Temperature range, max.			775.84
η	0.0003467	Pa×s	518.31	Calculated Property
η	0.0002473	Pa×s	546.92	Calculated Property
η	0.0001824	Pa×s	575.54	Calculated Property
η	0.0001385	Pa×s	604.15	Calculated Property
η	0.0001078	Pa×s	632.77	Calculated Property
η	0.0000857	Pa×s	661.38	Calculated Property
η	0.0000695	Pa×s	690.00	Calculated Property
η	0.0000573	Pa×s	718.61	Calculated Property
η	0.0000479	Pa×s	747.23	Calculated Property
η	0.0000406	Pa×s	775.84	Calculated Property

Similar Compounds

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

Sources

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

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