Chemical Properties of Sebacic acid, di(2-iodobenzyl) ester

InChI

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

InChI Key

FNMPQHCYBPNFSO-UHFFFAOYSA-N

Formula

C24H28I2O4

SMILES

O=C(CCCCCCCCC(=O)OCc1ccccc1I)OCc1ccccc1I

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	[3691.00; 3691.00]
Inp	3691.00		NIST
Inp	3691.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1081.29; 1120.93]	J/mol×K	[1114.76; 1371.00]
Cp,gas	1081.29	J/mol×K	1114.76	Joback Calculated Property
Cp,gas	1090.68	J/mol×K	1157.47	Joback Calculated Property
Cp,gas	1098.81	J/mol×K	1200.17	Joback Calculated Property
Cp,gas	1105.78	J/mol×K	1242.88	Joback Calculated Property
Cp,gas	1111.72	J/mol×K	1285.59	Joback Calculated Property
Cp,gas	1116.73	J/mol×K	1328.30	Joback Calculated Property
Cp,gas	1120.93	J/mol×K	1371.00	Joback Calculated Property
η	[0.0000104; 0.0001526]	Pa×s	[638.90; 1114.76]
η	0.0001526	Pa×s	638.90	Joback Calculated Property
η	0.0000761	Pa×s	718.21	Joback Calculated Property
η	0.0000436	Pa×s	797.52	Joback Calculated Property
η	0.0000276	Pa×s	876.83	Joback Calculated Property
η	0.0000189	Pa×s	956.14	Joback Calculated Property
η	0.0000137	Pa×s	1035.45	Joback Calculated Property
η	0.0000104	Pa×s	1114.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-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

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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