Chemical Properties of Glutaric acid, pentachlorophenyl propyl ester

InChI

InChI=1S/C14H13Cl5O4/c1-2-6-22-7(20)4-3-5-8(21)23-14-12(18)10(16)9(15)11(17)13(14)19/h2-6H2,1H3

InChI Key

NEHBKZXPCPEVLA-UHFFFAOYSA-N

Formula

C14H13Cl5O4

SMILES

CCCOC(=O)CCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Molecular Weight¹

422.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[357.67; 665.45]	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			1.43025e+02
Coefficient B			8.81820e-01
Coefficient C			-3.46600e-04
Coefficient D			-1.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.67	J/mol×K	273.00	Calculated Property
Cp,gas	411.05	J/mol×K	353.78	Calculated Property
Cp,gas	459.72	J/mol×K	434.56	Calculated Property
Cp,gas	503.66	J/mol×K	515.33	Calculated Property
Cp,gas	542.81	J/mol×K	596.11	Calculated Property
Cp,gas	577.14	J/mol×K	676.89	Calculated Property
Cp,gas	606.61	J/mol×K	757.67	Calculated Property
Cp,gas	631.18	J/mol×K	838.44	Calculated Property
Cp,gas	650.81	J/mol×K	919.22	Calculated Property
Cp,gas	665.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003125; 0.0000795]	Pa×s	[570.82; 768.23]	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			-1.33998e+01
Coefficient B			3.04184e+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.			570.82
Temperature range, max.			768.23
η	0.0003125	Pa×s	570.82	Calculated Property
η	0.0002566	Pa×s	592.75	Calculated Property
η	0.0002136	Pa×s	614.69	Calculated Property
η	0.0001802	Pa×s	636.62	Calculated Property
η	0.0001537	Pa×s	658.56	Calculated Property
η	0.0001324	Pa×s	680.49	Calculated Property
η	0.0001152	Pa×s	702.42	Calculated Property
η	0.0001010	Pa×s	724.36	Calculated Property
η	0.0000893	Pa×s	746.29	Calculated Property
η	0.0000795	Pa×s	768.23	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentachlorophenyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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