Chemical Properties of Nonanoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C15H18Cl4O2/c1-2-3-4-5-6-7-8-12(20)21-15-11(17)9-10(16)13(18)14(15)19/h9H,2-8H2,1H3

InChI Key

BGFFVJAUWJUQAE-UHFFFAOYSA-N

Formula

C15H18Cl4O2

SMILES

CCCCCCCCC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

372.11

• 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	[346.59; 703.70]	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			8.95170e+01
Coefficient B			1.08432e+00
Coefficient C			-5.42240e-04
Coefficient D			7.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.59	J/mol×K	273.00	Calculated Property
Cp,gas	408.45	J/mol×K	353.78	Calculated Property
Cp,gas	464.24	J/mol×K	434.56	Calculated Property
Cp,gas	514.17	J/mol×K	515.33	Calculated Property
Cp,gas	558.48	J/mol×K	596.11	Calculated Property
Cp,gas	597.40	J/mol×K	676.89	Calculated Property
Cp,gas	631.15	J/mol×K	757.67	Calculated Property
Cp,gas	659.97	J/mol×K	838.44	Calculated Property
Cp,gas	684.07	J/mol×K	919.22	Calculated Property
Cp,gas	703.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005654; 0.0001179]	Pa×s	[497.32; 707.26]	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			-1.27588e+01
Coefficient B			2.62622e+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.			497.32
Temperature range, max.			707.26
η	0.0005654	Pa×s	497.32	Calculated Property
η	0.0004462	Pa×s	520.65	Calculated Property
η	0.0003594	Pa×s	543.97	Calculated Property
η	0.0002947	Pa×s	567.30	Calculated Property
η	0.0002455	Pa×s	590.63	Calculated Property
η	0.0002073	Pa×s	613.96	Calculated Property
η	0.0001773	Pa×s	637.28	Calculated Property
η	0.0001533	Pa×s	660.61	Calculated Property
η	0.0001338	Pa×s	683.94	Calculated Property
η	0.0001179	Pa×s	707.26	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

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

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