Chemical Properties of Glutaric acid, dec-2-yl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C23H36O5/c1-5-6-7-8-9-10-12-19(3)27-22(24)13-11-14-23(25)28-21-17-18(2)15-16-20(21)26-4/h15-17,19H,5-14H2,1-4H3

InChI Key

MRGXYTCQVIUYAJ-UHFFFAOYSA-N

Formula

C23H36O5

SMILES

CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1cc(C)ccc1OC

Molecular Weight¹

392.53

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.99	kJ/mol	Joback Calculated Property
logPoct/wat	5.762		Crippen Calculated Property
McVol	331.920	ml/mol	McGowan Calculated Property
Inp	[2734.00; 2734.00]
Inp	2734.00		NIST
Inp	2734.00		NIST
Tboil	660.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[489.01; 1116.57]	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			5.13100e+01
Coefficient B			1.82408e+00
Coefficient C			-8.27520e-04
Coefficient D			6.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	489.01	J/mol×K	273.00	Calculated Property
Cp,gas	596.10	J/mol×K	353.78	Calculated Property
Cp,gas	693.34	J/mol×K	434.56	Calculated Property
Cp,gas	780.96	J/mol×K	515.33	Calculated Property
Cp,gas	859.16	J/mol×K	596.11	Calculated Property
Cp,gas	928.16	J/mol×K	676.89	Calculated Property
Cp,gas	988.19	J/mol×K	757.67	Calculated Property
Cp,gas	1039.46	J/mol×K	838.44	Calculated Property
Cp,gas	1082.18	J/mol×K	919.22	Calculated Property
Cp,gas	1116.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004101; 0.0000346]	Pa×s	[492.32; 773.60]	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			-1.45964e+01
Coefficient B			3.34637e+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.			492.32
Temperature range, max.			773.60
η	0.0004101	Pa×s	492.32	Calculated Property
η	0.0002733	Pa×s	523.57	Calculated Property
η	0.0001907	Pa×s	554.83	Calculated Property
η	0.0001382	Pa×s	586.08	Calculated Property
η	0.0001035	Pa×s	617.33	Calculated Property
η	0.0000797	Pa×s	648.59	Calculated Property
η	0.0000629	Pa×s	679.84	Calculated Property
η	0.0000507	Pa×s	711.09	Calculated Property
η	0.0000416	Pa×s	742.35	Calculated Property
η	0.0000346	Pa×s	773.60	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dec-2-yl 5-methyl-2-methoxybenzyl 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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