Chemical Properties of trichloroacetic acid, undecyl ester

InChI

InChI=1S/C13H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-18-12(17)13(14,15)16/h2-11H2,1H3

InChI Key

ZKEYPXQCWNXAQG-UHFFFAOYSA-N

Formula

C13H23Cl3O2

SMILES

CCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

317.68

Other Names

• Undecyl 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	0.7079		Relay (1.0) Calculated Property
ΔfH°gas	-645.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.97	kJ/mol	Joback Calculated Property
ΔvapH°	81.74	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	5.431		Crippen Calculated Property
McVol	238.190	ml/mol	McGowan Calculated Property
Pc	1534.26	kPa	Joback Calculated Property
Inp	[1864.00; 1871.00]
Inp	1864.00		NIST
Inp	1871.00		NIST
Inp	1864.00		NIST
Inp	1871.00		NIST
I	[2263.00; 2263.00]
I	2263.00		NIST
I	2263.00		NIST
Tboil	562.55	K	Relay (1.0) Calculated Property
Tc	762.41	K	Relay (1.0) Calculated Property
Tfus	270.84	K	Relay (1.0) Calculated Property
Vc	0.898	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	[606.02; 682.15]	J/mol×K	[664.32; 852.22]
Cp,gas	606.02	J/mol×K	664.32	Joback Calculated Property
Cp,gas	620.73	J/mol×K	695.64	Joback Calculated Property
Cp,gas	634.58	J/mol×K	726.95	Joback Calculated Property
Cp,gas	647.62	J/mol×K	758.27	Joback Calculated Property
Cp,gas	659.87	J/mol×K	789.59	Joback Calculated Property
Cp,gas	671.37	J/mol×K	820.90	Joback Calculated Property
Cp,gas	682.15	J/mol×K	852.22	Joback Calculated Property
η	[0.0000992; 0.0024143]	Pa×s	[370.78; 664.32]
η	0.0024143	Pa×s	370.78	Joback Calculated Property
η	0.0010401	Pa×s	419.70	Joback Calculated Property
η	0.0005342	Pa×s	468.63	Joback Calculated Property
η	0.0003112	Pa×s	517.55	Joback Calculated Property
η	0.0001990	Pa×s	566.47	Joback Calculated Property
η	0.0001367	Pa×s	615.40	Joback Calculated Property
η	0.0000992	Pa×s	664.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to trichloroacetic acid, undecyl ester.

Sources

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

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