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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.53; 799.64]	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			7.73850e+01
Coefficient B			1.33060e+00
Coefficient C			-6.96440e-04
Coefficient D			8.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.53	J/mol×K	273.00	Calculated Property
Cp,gas	464.86	J/mol×K	353.78	Calculated Property
Cp,gas	531.32	J/mol×K	434.56	Calculated Property
Cp,gas	590.19	J/mol×K	515.33	Calculated Property
Cp,gas	641.75	J/mol×K	596.11	Calculated Property
Cp,gas	686.28	J/mol×K	676.89	Calculated Property
Cp,gas	724.06	J/mol×K	757.67	Calculated Property
Cp,gas	755.36	J/mol×K	838.44	Calculated Property
Cp,gas	780.46	J/mol×K	919.22	Calculated Property
Cp,gas	799.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002227; 0.0000465]	Pa×s	[611.15; 848.19]	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			-1.40154e+01
Coefficient B			3.42600e+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.			611.15
Temperature range, max.			848.19
η	0.0002227	Pa×s	611.15	Calculated Property
η	0.0001767	Pa×s	637.49	Calculated Property
η	0.0001427	Pa×s	663.83	Calculated Property
η	0.0001172	Pa×s	690.16	Calculated Property
η	0.0000977	Pa×s	716.50	Calculated Property
η	0.0000824	Pa×s	742.84	Calculated Property
η	0.0000704	Pa×s	769.18	Calculated Property
η	0.0000607	Pa×s	795.52	Calculated Property
η	0.0000529	Pa×s	821.86	Calculated Property
η	0.0000465	Pa×s	848.19	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

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