Chemical Properties of Glutaric acid, cyclohexylmethyl (2-naphthyl)methyl ester

InChI

InChI=1S/C23H28O4/c24-22(26-16-18-7-2-1-3-8-18)11-6-12-23(25)27-17-19-13-14-20-9-4-5-10-21(20)15-19/h4-5,9-10,13-15,18H,1-3,6-8,11-12,16-17H2

InChI Key

SJVLQKRDLIZAIH-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

O=C(CCCC(=O)OCC1CCCCC1)OCc1ccc2ccccc2c1

Molecular Weight¹

368.47

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.57	kJ/mol	Joback Calculated Property
logPoct/wat	5.177		Crippen Calculated Property
McVol	295.730	ml/mol	McGowan Calculated Property
Inp	[3116.00; 3116.00]
Inp	3116.00		NIST
Inp	3116.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[392.25; 994.87]	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			-8.38550e+01
Coefficient B			2.05920e+00
Coefficient C			-1.22008e-03
Coefficient D			2.39600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.25	J/mol×K	273.00	Calculated Property
Cp,gas	502.55	J/mol×K	353.78	Calculated Property
Cp,gas	600.25	J/mol×K	434.56	Calculated Property
Cp,gas	686.10	J/mol×K	515.33	Calculated Property
Cp,gas	760.86	J/mol×K	596.11	Calculated Property
Cp,gas	825.29	J/mol×K	676.89	Calculated Property
Cp,gas	880.15	J/mol×K	757.67	Calculated Property
Cp,gas	926.19	J/mol×K	838.44	Calculated Property
Cp,gas	964.18	J/mol×K	919.22	Calculated Property
Cp,gas	994.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007778; 0.0000916]	Pa×s	[512.65; 798.32]	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			-1.31366e+01
Coefficient B			3.06443e+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.			512.65
Temperature range, max.			798.32
η	0.0007778	Pa×s	512.65	Calculated Property
η	0.0005489	Pa×s	544.39	Calculated Property
η	0.0004026	Pa×s	576.13	Calculated Property
η	0.0003049	Pa×s	607.87	Calculated Property
η	0.0002374	Pa×s	639.62	Calculated Property
η	0.0001893	Pa×s	671.36	Calculated Property
η	0.0001541	Pa×s	703.10	Calculated Property
η	0.0001276	Pa×s	734.84	Calculated Property
η	0.0001074	Pa×s	766.58	Calculated Property
η	0.0000916	Pa×s	798.32	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl (2-naphthyl)methyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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