Chemical Properties of Glutaric acid, cyclohexylmethyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C20H28O6/c1-23-16-10-6-11-17(24-2)20(16)26-19(22)13-7-12-18(21)25-14-15-8-4-3-5-9-15/h6,10-11,15H,3-5,7-9,12-14H2,1-2H3

InChI Key

DWOZDGVHLLOFOA-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

364.43

• 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°	43.77	kJ/mol	Joback Calculated Property
logPoct/wat	3.903		Crippen Calculated Property
McVol	284.660	ml/mol	McGowan Calculated Property
Inp	[2782.00; 2782.00]
Inp	2782.00		NIST
Inp	2782.00		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	[402.97; 964.83]	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			1.56140e+01
Coefficient B			1.59204e+00
Coefficient C			-6.31120e-04
Coefficient D			-1.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.97	J/mol×K	273.00	Calculated Property
Cp,gas	499.33	J/mol×K	353.78	Calculated Property
Cp,gas	587.30	J/mol×K	434.56	Calculated Property
Cp,gas	666.84	J/mol×K	515.33	Calculated Property
Cp,gas	737.90	J/mol×K	596.11	Calculated Property
Cp,gas	800.45	J/mol×K	676.89	Calculated Property
Cp,gas	854.46	J/mol×K	757.67	Calculated Property
Cp,gas	899.88	J/mol×K	838.44	Calculated Property
Cp,gas	936.69	J/mol×K	919.22	Calculated Property
Cp,gas	964.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003912; 0.0000427]	Pa×s	[503.12; 762.86]	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			-1.43506e+01
Coefficient B			3.27243e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			503.12
Temperature range, max.			762.86
η	0.0003912	Pa×s	503.12	Calculated Property
η	0.0002749	Pa×s	531.98	Calculated Property
η	0.0002003	Pa×s	560.84	Calculated Property
η	0.0001505	Pa×s	589.70	Calculated Property
η	0.0001162	Pa×s	618.56	Calculated Property
η	0.0000918	Pa×s	647.42	Calculated Property
η	0.0000740	Pa×s	676.28	Calculated Property
η	0.0000607	Pa×s	705.14	Calculated Property
η	0.0000506	Pa×s	734.00	Calculated Property
η	0.0000427	Pa×s	762.86	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2,6-dimethoxyphenyl 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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