Chemical Properties of Pimelic acid, di(2,6-dichlorophenyl) ester

InChI

InChI=1S/C19H16Cl4O4/c20-12-6-4-7-13(21)18(12)26-16(24)10-2-1-3-11-17(25)27-19-14(22)8-5-9-15(19)23/h4-9H,1-3,10-11H2

InChI Key

GIVSDPNYTBNQRY-UHFFFAOYSA-N

Formula

C19H16Cl4O4

SMILES

O=C(CCCCCC(=O)Oc1c(Cl)cccc1Cl)Oc1c(Cl)cccc1Cl

Molecular Weight¹

450.14

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	57.02	kJ/mol	Joback Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
logPoct/wat	6.762		Crippen Calculated Property
McVol	294.890	ml/mol	McGowan Calculated Property
Inp	[2153.00; 2153.00]
Inp	2153.00		NIST
Inp	2153.00		NIST
Tboil	640.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[794.04; 823.88]	J/mol×K	[973.76; 1211.71]
Cp,gas	794.04	J/mol×K	973.76	Joback Calculated Property
Cp,gas	802.28	J/mol×K	1013.42	Joback Calculated Property
Cp,gas	809.16	J/mol×K	1053.08	Joback Calculated Property
Cp,gas	814.73	J/mol×K	1092.73	Joback Calculated Property
Cp,gas	819.02	J/mol×K	1132.39	Joback Calculated Property
Cp,gas	822.06	J/mol×K	1172.05	Joback Calculated Property
Cp,gas	823.88	J/mol×K	1211.71	Joback Calculated Property
η	[0.0000276; 0.0002227]	Pa×s	[611.15; 973.76]
η	0.0002227	Pa×s	611.15	Joback Calculated Property
η	0.0001345	Pa×s	671.59	Joback Calculated Property
η	0.0000883	Pa×s	732.02	Joback Calculated Property
η	0.0000618	Pa×s	792.46	Joback Calculated Property
η	0.0000455	Pa×s	852.89	Joback Calculated Property
η	0.0000349	Pa×s	913.33	Joback Calculated Property
η	0.0000276	Pa×s	973.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, di(2,6-dichlorophenyl) 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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