Chemical Properties of Glutaric acid, heptyl 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C18H34O5/c1-4-5-6-7-8-13-22-17(19)10-9-11-18(20)23-15-16(2)12-14-21-3/h16H,4-15H2,1-3H3

InChI Key

HTUIEUJRFGBDOM-UHFFFAOYSA-N

Formula

C18H34O5

SMILES

CCCCCCCOC(=O)CCCC(=O)OCC(C)CCOC

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).
• 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_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 Volume, 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	[435.09; 983.22]	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			6.11620e+01
Coefficient B			1.54696e+00
Coefficient C			-6.58400e-04
Coefficient D			3.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	435.09	J/mol×K	273.00	Calculated Property
Cp,gas	527.52	J/mol×K	353.78	Calculated Property
Cp,gas	611.82	J/mol×K	434.56	Calculated Property
Cp,gas	688.10	J/mol×K	515.33	Calculated Property
Cp,gas	756.46	J/mol×K	596.11	Calculated Property
Cp,gas	817.01	J/mol×K	676.89	Calculated Property
Cp,gas	869.85	J/mol×K	757.67	Calculated Property
Cp,gas	915.10	J/mol×K	838.44	Calculated Property
Cp,gas	952.85	J/mol×K	919.22	Calculated Property
Cp,gas	983.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016299; 0.0000723]	Pa×s	[384.51; 648.23]	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			-1.40775e+01
Coefficient B			2.94467e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.51
Temperature range, max.			648.23
η	0.0016299	Pa×s	384.51	Calculated Property
η	0.0009476	Pa×s	413.81	Calculated Property
η	0.0005919	Pa×s	443.11	Calculated Property
η	0.0003920	Pa×s	472.42	Calculated Property
η	0.0002724	Pa×s	501.72	Calculated Property
η	0.0001970	Pa×s	531.02	Calculated Property
η	0.0001474	Pa×s	560.32	Calculated Property
η	0.0001135	Pa×s	589.62	Calculated Property
η	0.0000896	Pa×s	618.93	Calculated Property
η	0.0000723	Pa×s	648.23	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, heptyl 4-methoxy-2-methylbutyl ester.

Sources

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

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