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

InChI

InChI=1S/C24H28I2O4/c25-21-11-7-9-19(15-21)17-29-23(27)13-5-3-1-2-4-6-14-24(28)30-18-20-10-8-12-22(26)16-20/h7-12,15-16H,1-6,13-14,17-18H2

InChI Key

KUNACYHMENOTNQ-UHFFFAOYSA-N

Formula

C24H28I2O4

SMILES

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

Molecular Weight¹

634.29

• 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°	62.77	kJ/mol	Joback Calculated Property
logPoct/wat	6.803		Crippen Calculated Property
McVol	368.020	ml/mol	McGowan Calculated Property
Inp	[3570.00; 3570.00]
Inp	3570.00		NIST
Inp	3570.00		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	[472.03; 1048.94]	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			1.60600e+01
Coefficient B			1.97540e+00
Coefficient C			-1.18372e-03
Coefficient D			2.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	472.03	J/mol×K	273.00	Calculated Property
Cp,gas	577.44	J/mol×K	353.78	Calculated Property
Cp,gas	670.74	J/mol×K	434.56	Calculated Property
Cp,gas	752.70	J/mol×K	515.33	Calculated Property
Cp,gas	824.08	J/mol×K	596.11	Calculated Property
Cp,gas	885.64	J/mol×K	676.89	Calculated Property
Cp,gas	938.14	J/mol×K	757.67	Calculated Property
Cp,gas	982.35	J/mol×K	838.44	Calculated Property
Cp,gas	1019.03	J/mol×K	919.22	Calculated Property
Cp,gas	1048.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001526; 0.0000186]	Pa×s	[638.90; 959.70]	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			-1.50875e+01
Coefficient B			4.02488e+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.			638.90
Temperature range, max.			959.70
η	0.0001526	Pa×s	638.90	Calculated Property
η	0.0001094	Pa×s	674.54	Calculated Property
η	0.0000811	Pa×s	710.19	Calculated Property
η	0.0000618	Pa×s	745.83	Calculated Property
η	0.0000483	Pa×s	781.48	Calculated Property
η	0.0000386	Pa×s	817.12	Calculated Property
η	0.0000314	Pa×s	852.77	Calculated Property
η	0.0000260	Pa×s	888.41	Calculated Property
η	0.0000218	Pa×s	924.06	Calculated Property
η	0.0000186	Pa×s	959.70	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic 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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