Chemical Properties of Glutaric acid, 2-ethylhexyl 1-naphthyl ester

InChI

InChI=1S/C23H30O4/c1-3-5-10-18(4-2)17-26-22(24)15-9-16-23(25)27-21-14-8-12-19-11-6-7-13-20(19)21/h6-8,11-14,18H,3-5,9-10,15-17H2,1-2H3

InChI Key

OFOZANALOPYLMD-UHFFFAOYSA-N

Formula

C23H30O4

SMILES

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

Molecular Weight¹

370.48

• 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°	51.21	kJ/mol	Joback Calculated Property
log10WS	-5.76		Relay (1.0) Calculated Property
logPoct/wat	5.675		Crippen Calculated Property
McVol	306.590	ml/mol	McGowan Calculated Property
Pc	1233.74	kPa	Joback Calculated Property
Inp	[2896.00; 2896.00]
Inp	2896.00		NIST
Inp	2896.00		NIST
Tboil	695.31	K	Relay (1.0) Calculated Property
Tfus	283.88	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	[430.05; 1010.33]	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			-1.99320e+01
Coefficient B			1.94304e+00
Coefficient C			-1.14228e-03
Coefficient D			2.29500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	430.05	J/mol×K	273.00	Calculated Property
Cp,gas	534.67	J/mol×K	353.78	Calculated Property
Cp,gas	627.55	J/mol×K	434.56	Calculated Property
Cp,gas	709.44	J/mol×K	515.33	Calculated Property
Cp,gas	781.04	J/mol×K	596.11	Calculated Property
Cp,gas	843.10	J/mol×K	676.89	Calculated Property
Cp,gas	896.33	J/mol×K	757.67	Calculated Property
Cp,gas	941.46	J/mol×K	838.44	Calculated Property
Cp,gas	979.22	J/mol×K	919.22	Calculated Property
Cp,gas	1010.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007724; 0.0000839]	Pa×s	[490.27; 772.55]	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			-1.32402e+01
Coefficient B			2.97798e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			490.27
Temperature range, max.			772.55
η	0.0007724	Pa×s	490.27	Calculated Property
η	0.0005361	Pa×s	521.63	Calculated Property
η	0.0003878	Pa×s	553.00	Calculated Property
η	0.0002905	Pa×s	584.36	Calculated Property
η	0.0002240	Pa×s	615.73	Calculated Property
η	0.0001772	Pa×s	647.09	Calculated Property
η	0.0001433	Pa×s	678.45	Calculated Property
η	0.0001180	Pa×s	709.82	Calculated Property
η	0.0000988	Pa×s	741.18	Calculated Property
η	0.0000839	Pa×s	772.55	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 1-naphthyl ester.

Sources

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

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