Chemical Properties of Glutaric acid, cyclohexylmethyl 1-naphthyl ester

InChI

InChI=1S/C22H26O4/c23-21(25-16-17-8-2-1-3-9-17)14-7-15-22(24)26-20-13-6-11-18-10-4-5-12-19(18)20/h4-6,10-13,17H,1-3,7-9,14-16H2

InChI Key

FWCVAQBMXYONRQ-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

O=C(CCCC(=O)Oc1cccc2ccccc12)OCC1CCCCC1

Molecular Weight¹

354.45

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.98	kJ/mol	Joback Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	5.039		Crippen Calculated Property
McVol	281.640	ml/mol	McGowan Calculated Property
Inp	[3018.00; 3018.00]
Inp	3018.00		NIST
Inp	3018.00		NIST
Tfus	327.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[371.04; 943.27]	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			-8.29460e+01
Coefficient B			1.96420e+00
Coefficient C			-1.16568e-03
Coefficient D			2.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.04	J/mol×K	273.00	Calculated Property
Cp,gas	476.13	J/mol×K	353.78	Calculated Property
Cp,gas	569.17	J/mol×K	434.56	Calculated Property
Cp,gas	650.87	J/mol×K	515.33	Calculated Property
Cp,gas	721.95	J/mol×K	596.11	Calculated Property
Cp,gas	783.13	J/mol×K	676.89	Calculated Property
Cp,gas	835.13	J/mol×K	757.67	Calculated Property
Cp,gas	878.68	J/mol×K	838.44	Calculated Property
Cp,gas	914.48	J/mol×K	919.22	Calculated Property
Cp,gas	943.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008655; 0.0001026]	Pa×s	[501.38; 783.44]	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			-1.29764e+01
Coefficient B			2.97027e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			501.38
Temperature range, max.			783.44
η	0.0008655	Pa×s	501.38	Calculated Property
η	0.0006108	Pa×s	532.72	Calculated Property
η	0.0004481	Pa×s	564.06	Calculated Property
η	0.0003396	Pa×s	595.40	Calculated Property
η	0.0002646	Pa×s	626.74	Calculated Property
η	0.0002112	Pa×s	658.08	Calculated Property
η	0.0001720	Pa×s	689.42	Calculated Property
η	0.0001426	Pa×s	720.76	Calculated Property
η	0.0001201	Pa×s	752.10	Calculated Property
η	0.0001026	Pa×s	783.44	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 1-naphthyl 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

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