Chemical Properties of Glutaric acid, 3,4-dimethylphenyl hexyl ester

InChI

InChI=1S/C19H28O4/c1-4-5-6-7-13-22-18(20)9-8-10-19(21)23-17-12-11-15(2)16(3)14-17/h11-12,14H,4-10,13H2,1-3H3

InChI Key

NVGNKCUDSMODLP-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1ccc(C)c(C)c1

Molecular Weight¹

320.42

• 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	[389.06; 891.17]	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			3.11280e+01
Coefficient B			1.50136e+00
Coefficient C			-7.17720e-04
Coefficient D			7.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	389.06	J/mol×K	273.00	Calculated Property
Cp,gas	475.83	J/mol×K	353.78	Calculated Property
Cp,gas	554.29	J/mol×K	434.56	Calculated Property
Cp,gas	624.68	J/mol×K	515.33	Calculated Property
Cp,gas	687.25	J/mol×K	596.11	Calculated Property
Cp,gas	742.23	J/mol×K	676.89	Calculated Property
Cp,gas	789.87	J/mol×K	757.67	Calculated Property
Cp,gas	830.42	J/mol×K	838.44	Calculated Property
Cp,gas	864.10	J/mol×K	919.22	Calculated Property
Cp,gas	891.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008271; 0.0000828]	Pa×s	[440.01; 688.02]	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			-1.34833e+01
Coefficient B			2.80982e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			440.01
Temperature range, max.			688.02
η	0.0008271	Pa×s	440.01	Calculated Property
η	0.0005677	Pa×s	467.57	Calculated Property
η	0.0004063	Pa×s	495.12	Calculated Property
η	0.0003013	Pa×s	522.68	Calculated Property
η	0.0002301	Pa×s	550.24	Calculated Property
η	0.0001804	Pa×s	577.80	Calculated Property
η	0.0001446	Pa×s	605.35	Calculated Property
η	0.0001181	Pa×s	632.91	Calculated Property
η	0.0000981	Pa×s	660.47	Calculated Property
η	0.0000828	Pa×s	688.02	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-dimethylphenyl hexyl ester.

Sources

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

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