Chemical Properties of Trichloroacetic acid, tetradecyl ester (CAS 74339-52-9)

InChI

InChI=1S/C16H29Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h2-14H2,1H3

InChI Key

CAUJGQDJKZXWDE-UHFFFAOYSA-N

Formula

C16H29Cl3O2

SMILES

CCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

359.76

CAS

74339-52-9

Other Names

• Trichloroacetic acid, myristyl ester
• Tetradecyl 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.
• 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	0.8181		Relay (1.0) Calculated Property
ΔfH°gas	-708.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.74	kJ/mol	Joback Calculated Property
ΔvapH°	94.37	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-7.31		Relay (1.0) Calculated Property
logPoct/wat	6.601		Crippen Calculated Property
McVol	280.460	ml/mol	McGowan Calculated Property
Pc	1238.96	kPa	Joback Calculated Property
Inp	[2163.50; 2174.00]
Inp	2163.50		NIST
Inp	2171.00		NIST
Inp	2174.00		NIST
Inp	2163.50		NIST
Inp	2174.00		NIST
I	[2580.00; 2580.00]
I	2580.00		NIST
I	2580.00		NIST
Tboil	586.88	K	Relay (1.0) Calculated Property
Tc	791.92	K	Relay (1.0) Calculated Property
Tfus	285.32	K	Relay (1.0) Calculated Property
Vc	1.065	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.70; 851.71]	J/mol×K	[732.96; 918.26]
Cp,gas	769.70	J/mol×K	732.96	Joback Calculated Property
Cp,gas	785.52	J/mol×K	763.84	Joback Calculated Property
Cp,gas	800.42	J/mol×K	794.73	Joback Calculated Property
Cp,gas	814.46	J/mol×K	825.61	Joback Calculated Property
Cp,gas	827.66	J/mol×K	856.50	Joback Calculated Property
Cp,gas	840.06	J/mol×K	887.38	Joback Calculated Property
Cp,gas	851.71	J/mol×K	918.26	Joback Calculated Property
η	[0.0000623; 0.0016541]	Pa×s	[404.59; 732.96]
η	0.0016541	Pa×s	404.59	Joback Calculated Property
η	0.0006916	Pa×s	459.32	Joback Calculated Property
η	0.0003481	Pa×s	514.05	Joback Calculated Property
η	0.0002000	Pa×s	568.77	Joback Calculated Property
η	0.0001266	Pa×s	623.50	Joback Calculated Property
η	0.0000863	Pa×s	678.23	Joback Calculated Property
η	0.0000623	Pa×s	732.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, tetradecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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