Chemical Properties of Nonanoic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C15H20Cl2O2/c1-2-3-4-5-6-7-8-15(18)19-12-9-10-13(16)14(17)11-12/h9-11H,2-8H2,1H3

InChI Key

GLRDUADSTVKNMV-UHFFFAOYSA-N

Formula

C15H20Cl2O2

SMILES

CCCCCCCCC(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

303.22

Other Names

• Nonoic acid, 3,4-dichlorophenyl ester

• 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	[314.68; 693.24]	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			3.51370e+01
Coefficient B			1.18972e+00
Coefficient C			-6.35520e-04
Coefficient D			1.03900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.68	J/mol×K	273.00	Calculated Property
Cp,gas	381.09	J/mol×K	353.78	Calculated Property
Cp,gas	440.65	J/mol×K	434.56	Calculated Property
Cp,gas	493.68	J/mol×K	515.33	Calculated Property
Cp,gas	540.52	J/mol×K	596.11	Calculated Property
Cp,gas	581.49	J/mol×K	676.89	Calculated Property
Cp,gas	616.91	J/mol×K	757.67	Calculated Property
Cp,gas	647.13	J/mol×K	838.44	Calculated Property
Cp,gas	672.46	J/mol×K	919.22	Calculated Property
Cp,gas	693.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011383; 0.0001439]	Pa×s	[412.44; 641.90]	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			-1.25635e+01
Coefficient B			2.38610e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.44
Temperature range, max.			641.90
η	0.0011383	Pa×s	412.44	Calculated Property
η	0.0008128	Pa×s	437.94	Calculated Property
η	0.0006023	Pa×s	463.43	Calculated Property
η	0.0004605	Pa×s	488.93	Calculated Property
η	0.0003615	Pa×s	514.42	Calculated Property
η	0.0002904	Pa×s	539.92	Calculated Property
η	0.0002380	Pa×s	565.42	Calculated Property
η	0.0001983	Pa×s	590.91	Calculated Property
η	0.0001678	Pa×s	616.41	Calculated Property
η	0.0001439	Pa×s	641.90	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 3,4-dichlorophenyl ester.

Sources

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

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