Chemical Properties of Glutaric acid, cyclohexylmethyl 3-ethylphenyl ester

InChI

InChI=1S/C20H28O4/c1-2-16-10-6-11-18(14-16)24-20(22)13-7-12-19(21)23-15-17-8-4-3-5-9-17/h6,10-11,14,17H,2-5,7-9,12-13,15H2,1H3

InChI Key

CZSXFIRNLABGSF-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

CCc1cccc(OC(=O)CCCC(=O)OCC2CCCCC2)c1

Molecular Weight¹

332.43

• 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°	41.78	kJ/mol	Joback Calculated Property
logPoct/wat	4.448		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		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	[369.61; 930.87]	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			-4.96850e+01
Coefficient B			1.77792e+00
Coefficient C			-9.20160e-04
Coefficient D			1.22800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.61	J/mol×K	273.00	Calculated Property
Cp,gas	469.57	J/mol×K	353.78	Calculated Property
Cp,gas	559.24	J/mol×K	434.56	Calculated Property
Cp,gas	638.98	J/mol×K	515.33	Calculated Property
Cp,gas	709.19	J/mol×K	596.11	Calculated Property
Cp,gas	770.26	J/mol×K	676.89	Calculated Property
Cp,gas	822.57	J/mol×K	757.67	Calculated Property
Cp,gas	866.52	J/mol×K	838.44	Calculated Property
Cp,gas	902.49	J/mol×K	919.22	Calculated Property
Cp,gas	930.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010468; 0.0000723]	Pa×s	[446.14; 728.06]	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			-1.37645e+01
Coefficient B			3.07951e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			446.14
Temperature range, max.			728.06
η	0.0010468	Pa×s	446.14	Calculated Property
η	0.0006656	Pa×s	477.46	Calculated Property
η	0.0004475	Pa×s	508.79	Calculated Property
η	0.0003150	Pa×s	540.11	Calculated Property
η	0.0002304	Pa×s	571.44	Calculated Property
η	0.0001742	Pa×s	602.76	Calculated Property
η	0.0001353	Pa×s	634.09	Calculated Property
η	0.0001077	Pa×s	665.41	Calculated Property
η	0.0000874	Pa×s	696.74	Calculated Property
η	0.0000723	Pa×s	728.06	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-ethylphenyl 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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