Chemical Properties of 2,2,2-Trichloroethyl pentanoate

InChI

InChI=1S/C7H11Cl3O2/c1-2-3-4-6(11)12-5-7(8,9)10/h2-5H2,1H3

InChI Key

IQMBQFVYGSNNES-UHFFFAOYSA-N

Formula

C7H11Cl3O2

SMILES

CCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

233.52

Other Names

• Pentanoic 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	0.4853		Relay (1.0) Calculated Property
ΔfH°gas	-537.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.43	kJ/mol	Joback Calculated Property
ΔvapH°	58.90	kJ/mol	Relay (1.0) Calculated Property
IE	10.61	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	3.090		Crippen Calculated Property
McVol	153.650	ml/mol	McGowan Calculated Property
Pc	2558.51	kPa	Joback Calculated Property
Inp	[1239.00; 1309.00]
Inp	1278.00		NIST
Inp	1277.00		NIST
Inp	1284.00		NIST
Inp	1289.00		NIST
Inp	1309.00		NIST
Inp	Outlier 1239.00		NIST
Inp	1286.00		NIST
I	[1645.00; 1688.00]
I	1645.00		NIST
I	1668.00		NIST
I	1647.00		NIST
I	Outlier 1688.00		NIST
I	1655.00		NIST
I	1661.00		NIST
I	1661.00		NIST
Tboil	492.68	K	Relay (1.0) Calculated Property
Tc	686.01	K	Relay (1.0) Calculated Property
Tfus	272.02	K	Relay (1.0) Calculated Property
Vc	0.558	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	[315.87; 371.21]	J/mol×K	[527.04; 729.10]
Cp,gas	315.87	J/mol×K	527.04	Joback Calculated Property
Cp,gas	326.73	J/mol×K	560.72	Joback Calculated Property
Cp,gas	336.90	J/mol×K	594.39	Joback Calculated Property
Cp,gas	346.40	J/mol×K	628.07	Joback Calculated Property
Cp,gas	355.27	J/mol×K	661.75	Joback Calculated Property
Cp,gas	363.53	J/mol×K	695.42	Joback Calculated Property
Cp,gas	371.21	J/mol×K	729.10	Joback Calculated Property
η	[0.0002354; 0.0045518]	Pa×s	[303.16; 527.04]
η	0.0045518	Pa×s	303.16	Joback Calculated Property
η	0.0021199	Pa×s	340.47	Joback Calculated Property
η	0.0011482	Pa×s	377.79	Joback Calculated Property
η	0.0006944	Pa×s	415.10	Joback Calculated Property
η	0.0004562	Pa×s	452.41	Joback Calculated Property
η	0.0003196	Pa×s	489.73	Joback Calculated Property
η	0.0002354	Pa×s	527.04	Joback Calculated Property

Similar Compounds

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

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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