Chemical Properties of 2,2,2-Trichloroethyl hexanoate

InChI

InChI=1S/C8H13Cl3O2/c1-2-3-4-5-7(12)13-6-8(9,10)11/h2-6H2,1H3

InChI Key

WGQPNMRSQVQUSL-UHFFFAOYSA-N

Formula

C8H13Cl3O2

SMILES

CCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

247.55

Other Names

• Hexanoic acid, 2,2,2-trichloroethyl ester

• 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	0.5292		Relay (1.0) Calculated Property
ΔfH°gas	-559.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.44	kJ/mol	Joback Calculated Property
ΔvapH°	62.79	kJ/mol	Relay (1.0) Calculated Property
IE	10.49	eV	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	167.740	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[1336.00; 1390.00]
Inp	1378.00		NIST
Inp	1376.00		NIST
Inp	1378.00		NIST
Inp	1379.00		NIST
Inp	1390.00		NIST
Inp	Outlier 1336.00		NIST
Inp	1364.00		NIST
Inp	1384.00		NIST
I	[1738.00; 1784.00]
I	1738.00		NIST
I	1761.00		NIST
I	1739.00		NIST
I	Outlier 1784.00		NIST
I	1753.00		NIST
I	1750.00		NIST
I	1738.00		NIST
Tboil	508.34	K	Relay (1.0) Calculated Property
Tc	703.32	K	Relay (1.0) Calculated Property
Tfus	276.83	K	Relay (1.0) Calculated Property
Vc	0.612	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	[363.45; 422.23]	J/mol×K	[567.79; 769.47]
Cp,gas	363.45	J/mol×K	567.79	Joback Calculated Property
Cp,gas	374.85	J/mol×K	601.40	Joback Calculated Property
Cp,gas	385.58	J/mol×K	635.02	Joback Calculated Property
Cp,gas	395.65	J/mol×K	668.63	Joback Calculated Property
Cp,gas	405.09	J/mol×K	702.24	Joback Calculated Property
Cp,gas	413.95	J/mol×K	735.85	Joback Calculated Property
Cp,gas	422.23	J/mol×K	769.47	Joback Calculated Property
η	[0.0002194; 0.0026742]	Pa×s	[344.26; 567.79]
η	0.0026742	Pa×s	344.26	Joback Calculated Property
η	0.0014383	Pa×s	381.51	Joback Calculated Property
η	0.0008638	Pa×s	418.77	Joback Calculated Property
η	0.0005639	Pa×s	456.02	Joback Calculated Property
η	0.0003926	Pa×s	493.28	Joback Calculated Property
η	0.0002876	Pa×s	530.53	Joback Calculated Property
η	0.0002194	Pa×s	567.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-Trichloroethyl hexanoate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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