Chemical Properties of Dichloroacetic acid, nonyl ester (CAS 83004-99-3)

InChI

InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-8-9-15-11(14)10(12)13/h10H,2-9H2,1H3

InChI Key

XKMMRMJBZDCIHI-UHFFFAOYSA-N

Formula

C11H20Cl2O2

SMILES

CCCCCCCCCOC(=O)C(Cl)Cl

Molecular Weight¹

255.18

CAS

83004-99-3

Other Names

• Nonyl dichloroacetate

• 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).
• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.67; 612.02]	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			4.23980e+01
Coefficient B			1.01352e+00
Coefficient C			-5.24000e-04
Coefficient D			8.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	281.67	J/mol×K	273.00	Calculated Property
Cp,gas	338.92	J/mol×K	353.78	Calculated Property
Cp,gas	390.45	J/mol×K	434.56	Calculated Property
Cp,gas	436.50	J/mol×K	515.33	Calculated Property
Cp,gas	477.33	J/mol×K	596.11	Calculated Property
Cp,gas	513.19	J/mol×K	676.89	Calculated Property
Cp,gas	544.34	J/mol×K	757.67	Calculated Property
Cp,gas	571.02	J/mol×K	838.44	Calculated Property
Cp,gas	593.50	J/mol×K	919.22	Calculated Property
Cp,gas	612.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047743; 0.0002189]	Pa×s	[300.90; 535.62]	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			-1.23780e+01
Coefficient B			2.11638e+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.			300.90
Temperature range, max.			535.62
η	0.0047743	Pa×s	300.90	Calculated Property
η	0.0027244	Pa×s	326.98	Calculated Property
η	0.0016890	Pa×s	353.06	Calculated Property
η	0.0011183	Pa×s	379.14	Calculated Property
η	0.0007808	Pa×s	405.22	Calculated Property
η	0.0005693	Pa×s	431.30	Calculated Property
η	0.0004304	Pa×s	457.38	Calculated Property
η	0.0003353	Pa×s	483.46	Calculated Property
η	0.0002680	Pa×s	509.54	Calculated Property
η	0.0002189	Pa×s	535.62	Calculated Property

Similar Compounds

Find more compounds similar to Dichloroacetic acid, nonyl ester.

Sources

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

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