Chemical Properties of Chloroacetic acid, nonyl ester (CAS 5451-96-7)

InChI

InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-14-11(13)10-12/h2-10H2,1H3

InChI Key

OKWGMWNSHCOYJE-UHFFFAOYSA-N

Formula

C11H21ClO2

SMILES

CCCCCCCCCOC(=O)CCl

Molecular Weight¹

220.74

CAS

5451-96-7

Other Names

• Nonyl chloroacetate

• 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	[268.58; 603.21]	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			3.11890e+01
Coefficient B			1.00082e+00
Coefficient C			-5.00400e-04
Coefficient D			7.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.58	J/mol×K	273.00	Calculated Property
Cp,gas	325.80	J/mol×K	353.78	Calculated Property
Cp,gas	377.48	J/mol×K	434.56	Calculated Property
Cp,gas	423.85	J/mol×K	515.33	Calculated Property
Cp,gas	465.14	J/mol×K	596.11	Calculated Property
Cp,gas	501.57	J/mol×K	676.89	Calculated Property
Cp,gas	533.36	J/mol×K	757.67	Calculated Property
Cp,gas	560.75	J/mol×K	838.44	Calculated Property
Cp,gas	583.96	J/mol×K	919.22	Calculated Property
Cp,gas	603.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044012; 0.0002455]	Pa×s	[285.98; 504.18]	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			-1.20950e+01
Coefficient B			1.90724e+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.			285.98
Temperature range, max.			504.18
η	0.0044012	Pa×s	285.98	Calculated Property
η	0.0026135	Pa×s	310.22	Calculated Property
η	0.0016737	Pa×s	334.47	Calculated Property
η	0.0011384	Pa×s	358.71	Calculated Property
η	0.0008130	Pa×s	382.96	Calculated Property
η	0.0006044	Pa×s	407.20	Calculated Property
η	0.0004645	Pa×s	431.45	Calculated Property
η	0.0003672	Pa×s	455.69	Calculated Property
η	0.0002972	Pa×s	479.94	Calculated Property
η	0.0002455	Pa×s	504.18	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, nonyl ester.

Sources

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

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