Chemical Properties of Glutaric acid, hexyl pentachlorophenyl ester

InChI

InChI=1S/C17H19Cl5O4/c1-2-3-4-5-9-25-10(23)7-6-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h2-9H2,1H3

InChI Key

LJWJFVLDUHIUJV-UHFFFAOYSA-N

Formula

C17H19Cl5O4

SMILES

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

Molecular Weight¹

464.60

• 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).
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.31; 820.22]	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			1.40298e+02
Coefficient B			1.16682e+00
Coefficient C			-5.09800e-04
Coefficient D			2.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.31	J/mol×K	273.00	Calculated Property
Cp,gas	490.30	J/mol×K	353.78	Calculated Property
Cp,gas	552.96	J/mol×K	434.56	Calculated Property
Cp,gas	609.35	J/mol×K	515.33	Calculated Property
Cp,gas	659.55	J/mol×K	596.11	Calculated Property
Cp,gas	703.63	J/mol×K	676.89	Calculated Property
Cp,gas	741.66	J/mol×K	757.67	Calculated Property
Cp,gas	773.73	J/mol×K	838.44	Calculated Property
Cp,gas	799.89	J/mol×K	919.22	Calculated Property
Cp,gas	820.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002240; 0.0000540]	Pa×s	[604.63; 815.60]	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			-1.39018e+01
Coefficient B			3.32432e+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.			604.63
Temperature range, max.			815.60
η	0.0002240	Pa×s	604.63	Calculated Property
η	0.0001825	Pa×s	628.07	Calculated Property
η	0.0001508	Pa×s	651.51	Calculated Property
η	0.0001263	Pa×s	674.95	Calculated Property
η	0.0001071	Pa×s	698.40	Calculated Property
η	0.0000917	Pa×s	721.84	Calculated Property
η	0.0000794	Pa×s	745.28	Calculated Property
η	0.0000693	Pa×s	768.72	Calculated Property
η	0.0000610	Pa×s	792.16	Calculated Property
η	0.0000540	Pa×s	815.60	Calculated Property

Similar Compounds

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

Sources

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

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