Chemical Properties of Glutaric acid, di(3-iodobenzyl) ester

InChI

InChI=1S/C19H18I2O4/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2

InChI Key

JGCCFSUAYKAGPF-UHFFFAOYSA-N

Formula

C19H18I2O4

SMILES

O=C(CCCC(=O)OCc1cccc(I)c1)OCc1cccc(I)c1

Molecular Weight¹

564.16

• 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°	49.82	kJ/mol	Joback Calculated Property
logPoct/wat	4.853		Crippen Calculated Property
McVol	297.570	ml/mol	McGowan Calculated Property
Inp	[3422.00; 3422.00]
Inp	3422.00		NIST
Inp	3422.00		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	[365.96; 790.99]	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			2.06050e+01
Coefficient B			1.50040e+00
Coefficient C			-9.11720e-04
Coefficient D			1.81700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.96	J/mol×K	273.00	Calculated Property
Cp,gas	445.35	J/mol×K	353.78	Calculated Property
Cp,gas	515.35	J/mol×K	434.56	Calculated Property
Cp,gas	576.55	J/mol×K	515.33	Calculated Property
Cp,gas	629.52	J/mol×K	596.11	Calculated Property
Cp,gas	674.83	J/mol×K	676.89	Calculated Property
Cp,gas	713.06	J/mol×K	757.67	Calculated Property
Cp,gas	744.77	J/mol×K	838.44	Calculated Property
Cp,gas	770.56	J/mol×K	919.22	Calculated Property
Cp,gas	790.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003009; 0.0000377]	Pa×s	[582.55; 883.42]	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			-1.42097e+01
Coefficient B			3.55408e+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.			582.55
Temperature range, max.			883.42
η	0.0003009	Pa×s	582.55	Calculated Property
η	0.0002161	Pa×s	615.98	Calculated Property
η	0.0001606	Pa×s	649.41	Calculated Property
η	0.0001228	Pa×s	682.84	Calculated Property
η	0.0000963	Pa×s	716.27	Calculated Property
η	0.0000772	Pa×s	749.70	Calculated Property
η	0.0000631	Pa×s	783.13	Calculated Property
η	0.0000524	Pa×s	816.56	Calculated Property
η	0.0000441	Pa×s	849.99	Calculated Property
η	0.0000377	Pa×s	883.42	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(3-iodobenzyl) 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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