Chemical Properties of Glutaric acid, 2-ethylhexyl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C21H32O5/c1-5-7-9-17(6-2)15-25-20(22)10-8-11-21(23)26-19-14-16(3)12-13-18(19)24-4/h12-14,17H,5-11,15H2,1-4H3

InChI Key

YRMOQCAQVBXMGZ-UHFFFAOYSA-N

Formula

C21H32O5

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1cc(C)ccc1OC

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).
• 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°	49.81	kJ/mol	Joback Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.839		Crippen Calculated Property
McVol	303.740	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[2565.00; 2565.00]
Inp	2565.00		NIST
Inp	2565.00		NIST
Tboil	656.86	K	Relay (1.0) Calculated Property
Tfus	281.48	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	[446.58; 1013.39]	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			5.31280e+01
Coefficient B			1.63408e+00
Coefficient C			-7.18720e-04
Coefficient D			4.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.58	J/mol×K	273.00	Calculated Property
Cp,gas	543.26	J/mol×K	353.78	Calculated Property
Cp,gas	631.19	J/mol×K	434.56	Calculated Property
Cp,gas	710.50	J/mol×K	515.33	Calculated Property
Cp,gas	781.34	J/mol×K	596.11	Calculated Property
Cp,gas	843.84	J/mol×K	676.89	Calculated Property
Cp,gas	898.16	J/mol×K	757.67	Calculated Property
Cp,gas	944.43	J/mol×K	838.44	Calculated Property
Cp,gas	982.79	J/mol×K	919.22	Calculated Property
Cp,gas	1013.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005260; 0.0000456]	Pa×s	[469.78; 738.35]	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			-1.42725e+01
Coefficient B			3.15805e+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.			469.78
Temperature range, max.			738.35
η	0.0005260	Pa×s	469.78	Calculated Property
η	0.0003521	Pa×s	499.62	Calculated Property
η	0.0002466	Pa×s	529.46	Calculated Property
η	0.0001794	Pa×s	559.30	Calculated Property
η	0.0001347	Pa×s	589.15	Calculated Property
η	0.0001041	Pa×s	618.99	Calculated Property
η	0.0000823	Pa×s	648.83	Calculated Property
η	0.0000664	Pa×s	678.67	Calculated Property
η	0.0000546	Pa×s	708.51	Calculated Property
η	0.0000456	Pa×s	738.35	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 5-methyl-2-methoxybenzyl ester.

Sources

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

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