Chemical Properties of Glutaric acid, cyclohexylmethyl 4-acetylphenyl ester

InChI

InChI=1S/C20H26O5/c1-15(21)17-10-12-18(13-11-17)25-20(23)9-5-8-19(22)24-14-16-6-3-2-4-7-16/h10-13,16H,2-9,14H2,1H3

InChI Key

NNUDNEVJANJOIU-UHFFFAOYSA-N

Formula

C20H26O5

SMILES

CC(=O)c1ccc(OC(=O)CCCC(=O)OCC2CCCCC2)cc1

Molecular Weight¹

346.42

• 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°	43.38	kJ/mol	Joback Calculated Property
logPoct/wat	4.088		Crippen Calculated Property
McVol	274.490	ml/mol	McGowan Calculated Property
Inp	[2842.00; 2842.00]
Inp	2842.00		NIST
Inp	2842.00		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	[370.53; 919.89]	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			-4.23260e+01
Coefficient B			1.74992e+00
Coefficient C			-9.01460e-04
Coefficient D			1.13760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.53	J/mol×K	273.00	Calculated Property
Cp,gas	468.97	J/mol×K	353.78	Calculated Property
Cp,gas	557.22	J/mol×K	434.56	Calculated Property
Cp,gas	635.64	J/mol×K	515.33	Calculated Property
Cp,gas	704.59	J/mol×K	596.11	Calculated Property
Cp,gas	764.43	J/mol×K	676.89	Calculated Property
Cp,gas	815.52	J/mol×K	757.67	Calculated Property
Cp,gas	858.22	J/mol×K	838.44	Calculated Property
Cp,gas	892.89	J/mol×K	919.22	Calculated Property
Cp,gas	919.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007691; 0.0000707]	Pa×s	[496.07; 770.25]	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			-1.38743e+01
Coefficient B			3.32570e+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.			496.07
Temperature range, max.			770.25
η	0.0007691	Pa×s	496.07	Calculated Property
η	0.0005219	Pa×s	526.53	Calculated Property
η	0.0003694	Pa×s	557.00	Calculated Property
η	0.0002711	Pa×s	587.46	Calculated Property
η	0.0002050	Pa×s	617.93	Calculated Property
η	0.0001592	Pa×s	648.39	Calculated Property
η	0.0001265	Pa×s	678.85	Calculated Property
η	0.0001025	Pa×s	709.32	Calculated Property
η	0.0000845	Pa×s	739.78	Calculated Property
η	0.0000707	Pa×s	770.25	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 4-acetylphenyl 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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