Chemical Properties of Pimelic acid, di(3,4-dichlorophenyl) ester

InChI

InChI=1S/C19H16Cl4O4/c20-14-8-6-12(10-16(14)22)26-18(24)4-2-1-3-5-19(25)27-13-7-9-15(21)17(23)11-13/h6-11H,1-5H2

InChI Key

QZHBDCUOKURMRZ-UHFFFAOYSA-N

Formula

C19H16Cl4O4

SMILES

O=C(CCCCCC(=O)Oc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)c(Cl)c1

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).
• 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°	53.85	kJ/mol	Joback Calculated Property
log10WS	-7.53		Relay (1.0) Calculated Property
logPoct/wat	6.762		Crippen Calculated Property
McVol	294.890	ml/mol	McGowan Calculated Property
Inp	[3165.00; 3165.00]
Inp	3165.00		NIST
Inp	3165.00		NIST
Tboil	681.58	K	Relay (1.0) Calculated Property
Tfus	367.95	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.65; 831.86]	J/mol×K	[1009.70; 1251.92]
Cp,gas	800.65	J/mol×K	1009.70	Joback Calculated Property
Cp,gas	808.94	J/mol×K	1050.07	Joback Calculated Property
Cp,gas	815.96	J/mol×K	1090.44	Joback Calculated Property
Cp,gas	821.73	J/mol×K	1130.81	Joback Calculated Property
Cp,gas	826.28	J/mol×K	1171.18	Joback Calculated Property
Cp,gas	829.65	J/mol×K	1211.55	Joback Calculated Property
Cp,gas	831.86	J/mol×K	1251.92	Joback Calculated Property
η	[0.0000370; 0.0002010]	Pa×s	[670.81; 1009.70]
η	0.0002010	Pa×s	670.81	Joback Calculated Property
η	0.0001359	Pa×s	727.29	Joback Calculated Property
η	0.0000972	Pa×s	783.77	Joback Calculated Property
η	0.0000727	Pa×s	840.26	Joback Calculated Property
η	0.0000564	Pa×s	896.74	Joback Calculated Property
η	0.0000451	Pa×s	953.22	Joback Calculated Property
η	0.0000370	Pa×s	1009.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, di(3,4-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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