Chemical Properties of Glutaric acid, isobutyl 1-naphthyl ester

InChI

InChI=1S/C19H22O4/c1-14(2)13-22-18(20)11-6-12-19(21)23-17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14H,6,11-13H2,1-2H3

InChI Key

ZOZOSTFVSKFIGC-UHFFFAOYSA-N

Formula

C19H22O4

SMILES

CC(C)COC(=O)CCCC(=O)Oc1cccc2ccccc12

Molecular Weight¹

314.38

• 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).
• 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 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	[345.20; 803.96]	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			-1.62960e+01
Coefficient B			1.56304e+00
Coefficient C			-9.24680e-04
Coefficient D			1.81900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.20	J/mol×K	273.00	Calculated Property
Cp,gas	429.00	J/mol×K	353.78	Calculated Property
Cp,gas	503.24	J/mol×K	434.56	Calculated Property
Cp,gas	568.52	J/mol×K	515.33	Calculated Property
Cp,gas	625.40	J/mol×K	596.11	Calculated Property
Cp,gas	674.45	J/mol×K	676.89	Calculated Property
Cp,gas	716.26	J/mol×K	757.67	Calculated Property
Cp,gas	751.40	J/mol×K	838.44	Calculated Property
Cp,gas	780.44	J/mol×K	919.22	Calculated Property
Cp,gas	803.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011532; 0.0001302]	Pa×s	[445.19; 710.33]	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			-1.26084e+01
Coefficient B			2.60134e+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.			445.19
Temperature range, max.			710.33
η	0.0011532	Pa×s	445.19	Calculated Property
η	0.0008024	Pa×s	474.65	Calculated Property
η	0.0005825	Pa×s	504.11	Calculated Property
η	0.0004381	Pa×s	533.57	Calculated Property
η	0.0003395	Pa×s	563.03	Calculated Property
η	0.0002698	Pa×s	592.49	Calculated Property
η	0.0002191	Pa×s	621.95	Calculated Property
η	0.0001814	Pa×s	651.41	Calculated Property
η	0.0001526	Pa×s	680.87	Calculated Property
η	0.0001302	Pa×s	710.33	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 1-naphthyl ester.

Sources

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

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