Chemical Properties of Glutaric acid, di(2-isopropoxyphenyl) ester

InChI

InChI=1S/C23H28O6/c1-16(2)26-18-10-5-7-12-20(18)28-22(24)14-9-15-23(25)29-21-13-8-6-11-19(21)27-17(3)4/h5-8,10-13,16-17H,9,14-15H2,1-4H3

InChI Key

MLIWEJSPEVYNME-UHFFFAOYSA-N

Formula

C23H28O6

SMILES

CC(C)Oc1ccccc1OC(=O)CCCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

400.47

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔfusH°	46.70	kJ/mol	Joback Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	4.942		Crippen Calculated Property
McVol	314.030	ml/mol	McGowan Calculated Property
Inp	[2872.00; 2872.00]
Inp	2872.00		NIST
Inp	2872.00		NIST
Tboil	670.77	K	Relay (1.0) Calculated Property
Tfus	365.22	K	Relay (1.0) Calculated Property

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 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	[446.84; 1017.08]	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			4.12230e+01
Coefficient B			1.68788e+00
Coefficient C			-7.50920e-04
Coefficient D			3.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.84	J/mol×K	273.00	Calculated Property
Cp,gas	546.10	J/mol×K	353.78	Calculated Property
Cp,gas	636.09	J/mol×K	434.56	Calculated Property
Cp,gas	716.95	J/mol×K	515.33	Calculated Property
Cp,gas	788.79	J/mol×K	596.11	Calculated Property
Cp,gas	851.74	J/mol×K	676.89	Calculated Property
Cp,gas	905.92	J/mol×K	757.67	Calculated Property
Cp,gas	951.46	J/mol×K	838.44	Calculated Property
Cp,gas	988.47	J/mol×K	919.22	Calculated Property
Cp,gas	1017.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002611; 0.0000233]	Pa×s	[525.97; 820.86]	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			-1.49804e+01
Coefficient B			3.53970e+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.			525.97
Temperature range, max.			820.86
η	0.0002611	Pa×s	525.97	Calculated Property
η	0.0001760	Pa×s	558.74	Calculated Property
η	0.0001239	Pa×s	591.50	Calculated Property
η	0.0000905	Pa×s	624.27	Calculated Property
η	0.0000682	Pa×s	657.03	Calculated Property
η	0.0000528	Pa×s	689.80	Calculated Property
η	0.0000418	Pa×s	722.56	Calculated Property
η	0.0000338	Pa×s	755.33	Calculated Property
η	0.0000278	Pa×s	788.09	Calculated Property
η	0.0000233	Pa×s	820.86	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-isopropoxyphenyl) 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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