Chemical Properties of Trichloroacetic acid, pentadecyl ester (CAS 74339-53-0)

InChI

InChI=1S/C17H31Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-16(21)17(18,19)20/h2-15H2,1H3

InChI Key

NKIOTTYRINVYJZ-UHFFFAOYSA-N

Formula

C17H31Cl3O2

SMILES

CCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

373.79

CAS

74339-53-0

Other Names

• Pentadecyl trichloroacetate

• 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	[421.21; 930.76]	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			2.70440e+01
Coefficient B			1.71022e+00
Coefficient C			-1.03940e-03
Coefficient D			2.32900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.21	J/mol×K	273.00	Calculated Property
Cp,gas	512.30	J/mol×K	353.78	Calculated Property
Cp,gas	593.06	J/mol×K	434.56	Calculated Property
Cp,gas	664.22	J/mol×K	515.33	Calculated Property
Cp,gas	726.51	J/mol×K	596.11	Calculated Property
Cp,gas	780.67	J/mol×K	676.89	Calculated Property
Cp,gas	827.44	J/mol×K	757.67	Calculated Property
Cp,gas	867.56	J/mol×K	838.44	Calculated Property
Cp,gas	901.75	J/mol×K	919.22	Calculated Property
Cp,gas	930.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014486; 0.0000964]	Pa×s	[415.86; 658.89]	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			-1.38843e+01
Coefficient B			3.05538e+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.			415.86
Temperature range, max.			658.89
η	0.0014486	Pa×s	415.86	Calculated Property
η	0.0009255	Pa×s	442.86	Calculated Property
η	0.0006226	Pa×s	469.87	Calculated Property
η	0.0004372	Pa×s	496.87	Calculated Property
η	0.0003185	Pa×s	523.87	Calculated Property
η	0.0002393	Pa×s	550.88	Calculated Property
η	0.0001846	Pa×s	577.88	Calculated Property
η	0.0001458	Pa×s	604.88	Calculated Property
η	0.0001175	Pa×s	631.89	Calculated Property
η	0.0000964	Pa×s	658.89	Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, pentadecyl ester.

Sources

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

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