Chemical Properties of Glutaric acid, isohexyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C18H34O5/c1-15(2)7-6-12-22-17(19)8-5-9-18(20)23-14-11-16(3)10-13-21-4/h15-16H,5-14H2,1-4H3

InChI Key

ZGOZOYGRQLJSSS-UHFFFAOYSA-N

Formula

C18H34O5

SMILES

COCCC(C)CCOC(=O)CCCC(=O)OCCCC(C)C

Molecular Weight¹

330.46

• 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).
• 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 Pressure, 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	[434.78; 983.76]	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			5.94800e+01
Coefficient B			1.55288e+00
Coefficient C			-6.61600e-04
Coefficient D			3.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	434.78	J/mol×K	273.00	Calculated Property
Cp,gas	527.51	J/mol×K	353.78	Calculated Property
Cp,gas	612.07	J/mol×K	434.56	Calculated Property
Cp,gas	688.55	J/mol×K	515.33	Calculated Property
Cp,gas	757.06	J/mol×K	596.11	Calculated Property
Cp,gas	817.71	J/mol×K	676.89	Calculated Property
Cp,gas	870.60	J/mol×K	757.67	Calculated Property
Cp,gas	915.84	J/mol×K	838.44	Calculated Property
Cp,gas	953.52	J/mol×K	919.22	Calculated Property
Cp,gas	983.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021549; 0.0000667]	Pa×s	[369.51; 648.87]	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			-1.42115e+01
Coefficient B			2.98249e+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.			369.51
Temperature range, max.			648.87
η	0.0021549	Pa×s	369.51	Calculated Property
η	0.0011529	Pa×s	400.55	Calculated Property
η	0.0006748	Pa×s	431.59	Calculated Property
η	0.0004245	Pa×s	462.63	Calculated Property
η	0.0002830	Pa×s	493.67	Calculated Property
η	0.0001980	Pa×s	524.71	Calculated Property
η	0.0001441	Pa×s	555.75	Calculated Property
η	0.0001085	Pa×s	586.79	Calculated Property
η	0.0000840	Pa×s	617.83	Calculated Property
η	0.0000667	Pa×s	648.87	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isohexyl 5-methoxy-3-methylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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