Chemical Properties of Trichloroacetic acid, hexadecyl ester (CAS 74339-54-1)

InChI

InChI=1S/C18H33Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17(22)18(19,20)21/h2-16H2,1H3

InChI Key

CCFJXGUHYQBXDT-UHFFFAOYSA-N

Formula

C18H33Cl3O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

387.81

CAS

74339-54-1

Other Names

• Trichloroacetic acid, palmityl ester
• Acetic acid, trichloro-, hexadecyl ester
• Hexadecyl trichloroacetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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.
• I : 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

Property	Value	Unit	Source
ω	0.8901		Relay (1.0) Calculated Property
ΔfG°	-166.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-750.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.34	kJ/mol	Joback Calculated Property
ΔvapH°	101.44	kJ/mol	Relay (1.0) Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
log10WS	-7.88		Relay (1.0) Calculated Property
logPoct/wat	7.381		Crippen Calculated Property
McVol	308.640	ml/mol	McGowan Calculated Property
Pc	1117.06	kPa	Joback Calculated Property
Inp	[2364.90; 2381.00]
Inp	2364.90		NIST
Inp	2371.00		NIST
Inp	2381.00		NIST
Inp	2381.00		NIST
Inp	2364.90		NIST
I	[2788.00; 2788.00]
I	2788.00		NIST
I	2788.00		NIST
Tboil	601.80	K	Relay (1.0) Calculated Property
Tc	805.38	K	Relay (1.0) Calculated Property
Tfus	297.51	K	Relay (1.0) Calculated Property
Vc	1.174	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[891.14; 976.37]	J/mol×K	[796.59; 985.44]
Cp,gas	891.14	J/mol×K	796.59	Joback Calculated Property
Cp,gas	907.51	J/mol×K	828.06	Joback Calculated Property
Cp,gas	922.96	J/mol×K	859.54	Joback Calculated Property
Cp,gas	937.52	J/mol×K	891.01	Joback Calculated Property
Cp,gas	951.25	J/mol×K	922.49	Joback Calculated Property
Cp,gas	964.18	J/mol×K	953.96	Joback Calculated Property
Cp,gas	976.37	J/mol×K	985.44	Joback Calculated Property
η	[0.0000507; 0.0009387]	Pa×s	[456.96; 796.59]
η	0.0009387	Pa×s	456.96	Joback Calculated Property
η	0.0004414	Pa×s	513.56	Joback Calculated Property
η	0.0002411	Pa×s	570.17	Joback Calculated Property
η	0.0001469	Pa×s	626.77	Joback Calculated Property
η	0.0000972	Pa×s	683.38	Joback Calculated Property
η	0.0000685	Pa×s	739.99	Joback Calculated Property
η	0.0000507	Pa×s	796.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, hexadecyl ester.

Sources

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

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