Chemical Properties of Glutaric acid, 2-methylhex-3-yl 2-phenoxyethyl ester

InChI

InChI=1S/C20H30O5/c1-4-9-18(16(2)3)25-20(22)13-8-12-19(21)24-15-14-23-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3

InChI Key

IQYMFQDNIURTHI-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

CCCC(OC(=O)CCCC(=O)OCCOc1ccccc1)C(C)C

Molecular Weight¹

350.45

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[419.95; 968.42]	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			2.37570e+01
Coefficient B			1.66396e+00
Coefficient C			-8.01600e-04
Coefficient D			8.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.95	J/mol×K	273.00	Calculated Property
Cp,gas	515.75	J/mol×K	353.78	Calculated Property
Cp,gas	602.22	J/mol×K	434.56	Calculated Property
Cp,gas	679.63	J/mol×K	515.33	Calculated Property
Cp,gas	748.25	J/mol×K	596.11	Calculated Property
Cp,gas	808.32	J/mol×K	676.89	Calculated Property
Cp,gas	860.11	J/mol×K	757.67	Calculated Property
Cp,gas	903.89	J/mol×K	838.44	Calculated Property
Cp,gas	939.90	J/mol×K	919.22	Calculated Property
Cp,gas	968.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011388; 0.0000478]	Pa×s	[418.47; 714.31]	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			-1.44348e+01
Coefficient B			3.20423e+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.			418.47
Temperature range, max.			714.31
η	0.0011388	Pa×s	418.47	Calculated Property
η	0.0006520	Pa×s	451.34	Calculated Property
η	0.0004027	Pa×s	484.21	Calculated Property
η	0.0002644	Pa×s	517.08	Calculated Property
η	0.0001826	Pa×s	549.95	Calculated Property
η	0.0001314	Pa×s	582.82	Calculated Property
η	0.0000980	Pa×s	615.69	Calculated Property
η	0.0000753	Pa×s	648.56	Calculated Property
η	0.0000593	Pa×s	681.44	Calculated Property
η	0.0000478	Pa×s	714.31	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2-phenoxyethyl 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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