Chemical Properties of Phthalic acid, pentyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C19H17Cl3O4/c1-2-3-6-9-25-18(23)13-7-4-5-8-14(13)19(24)26-16-11-12(20)10-15(21)17(16)22/h4-5,7-8,10-11H,2-3,6,9H2,1H3

InChI Key

YKJWGFWAUBYIFZ-UHFFFAOYSA-N

Formula

C19H17Cl3O4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

415.69

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[377.12; 791.37]	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			6.44940e+01
Coefficient B			1.32382e+00
Coefficient C			-6.76040e-04
Coefficient D			7.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.12	J/mol×K	273.00	Calculated Property
Cp,gas	451.72	J/mol×K	353.78	Calculated Property
Cp,gas	518.60	J/mol×K	434.56	Calculated Property
Cp,gas	577.99	J/mol×K	515.33	Calculated Property
Cp,gas	630.16	J/mol×K	596.11	Calculated Property
Cp,gas	675.36	J/mol×K	676.89	Calculated Property
Cp,gas	713.83	J/mol×K	757.67	Calculated Property
Cp,gas	745.82	J/mol×K	838.44	Calculated Property
Cp,gas	771.58	J/mol×K	919.22	Calculated Property
Cp,gas	791.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002743; 0.0000539]	Pa×s	[581.23; 819.41]	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			-1.38010e+01
Coefficient B			3.25468e+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.			581.23
Temperature range, max.			819.41
η	0.0002743	Pa×s	581.23	Calculated Property
η	0.0002149	Pa×s	607.69	Calculated Property
η	0.0001719	Pa×s	634.16	Calculated Property
η	0.0001399	Pa×s	660.62	Calculated Property
η	0.0001157	Pa×s	687.09	Calculated Property
η	0.0000971	Pa×s	713.55	Calculated Property
η	0.0000825	Pa×s	740.02	Calculated Property
η	0.0000709	Pa×s	766.48	Calculated Property
η	0.0000615	Pa×s	792.95	Calculated Property
η	0.0000539	Pa×s	819.41	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, pentyl 2,3,5-trichlorophenyl ester.

Sources

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

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