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

InChI

InChI=1S/C21H32O5/c1-4-6-8-17(5-2)15-25-20(22)9-7-10-21(23)26-16-18-11-13-19(24-3)14-12-18/h11-14,17H,4-10,15-16H2,1-3H3

InChI Key

WQTVDHTTWTXZED-UHFFFAOYSA-N

Formula

C21H32O5

SMILES

CCCCC(CC)COC(=O)CCCC(=O)OCc1ccc(OC)cc1

Molecular Weight¹

364.48

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.20	kJ/mol	Joback Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.668		Crippen Calculated Property
McVol	303.740	ml/mol	McGowan Calculated Property
Pc	1175.24	kPa	Joback Calculated Property
Inp	[2667.00; 2667.00]
Inp	2667.00		NIST
Inp	2667.00		NIST
Tboil	660.42	K	Relay (1.0) Calculated Property
Tfus	262.06	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 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	[444.03; 1016.43]	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			3.88290e+01
Coefficient B			1.69356e+00
Coefficient C			-7.85760e-04
Coefficient D			6.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.03	J/mol×K	273.00	Calculated Property
Cp,gas	542.72	J/mol×K	353.78	Calculated Property
Cp,gas	632.12	J/mol×K	434.56	Calculated Property
Cp,gas	712.46	J/mol×K	515.33	Calculated Property
Cp,gas	783.95	J/mol×K	596.11	Calculated Property
Cp,gas	846.81	J/mol×K	676.89	Calculated Property
Cp,gas	901.27	J/mol×K	757.67	Calculated Property
Cp,gas	947.55	J/mol×K	838.44	Calculated Property
Cp,gas	985.86	J/mol×K	919.22	Calculated Property
Cp,gas	1016.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006439; 0.0000456]	Pa×s	[457.26; 734.24]	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			-1.43665e+01
Coefficient B			3.20931e+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.			457.26
Temperature range, max.			734.24
η	0.0006439	Pa×s	457.26	Calculated Property
η	0.0004136	Pa×s	488.04	Calculated Property
η	0.0002800	Pa×s	518.81	Calculated Property
η	0.0001980	Pa×s	549.59	Calculated Property
η	0.0001453	Pa×s	580.36	Calculated Property
η	0.0001100	Pa×s	611.14	Calculated Property
η	0.0000855	Pa×s	641.91	Calculated Property
η	0.0000680	Pa×s	672.69	Calculated Property
η	0.0000552	Pa×s	703.46	Calculated Property
η	0.0000456	Pa×s	734.24	Calculated Property

Similar Compounds

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

Sources

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

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