Chemical Properties of 2,2,2-Trichloroethyl butanoate

InChI

InChI=1S/C6H9Cl3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3

InChI Key

WRMIVVLGWCQXNE-UHFFFAOYSA-N

Formula

C6H9Cl3O2

SMILES

CCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

219.49

Other Names

• Butanoic 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	0.4421		Relay (1.0) Calculated Property
ΔfH°gas	-514.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.84	kJ/mol	Joback Calculated Property
ΔvapH°	57.79	kJ/mol	Relay (1.0) Calculated Property
IE	10.68	eV	Relay (1.0) Calculated Property
log10WS	-2.93		Relay (1.0) Calculated Property
logPoct/wat	2.700		Crippen Calculated Property
McVol	139.560	ml/mol	McGowan Calculated Property
Pc	2826.33	kPa	Joback Calculated Property
Inp	[1144.00; 1218.00]
Inp	1180.00		NIST
Inp	1183.00		NIST
Inp	1191.00		NIST
Inp	1207.00		NIST
Inp	1218.00		NIST
Inp	1144.00		NIST
Inp	1185.00		NIST
Inp	1180.00		NIST
Inp	1144.00		NIST
Inp	1185.00		NIST
I	[1559.00; 1600.00]
I	1559.00		NIST
I	1580.00		NIST
I	1560.00		NIST
I	1600.00		NIST
I	1573.00		NIST
I	1559.00		NIST
Tboil	473.78	K	Relay (1.0) Calculated Property
Tc	673.19	K	Relay (1.0) Calculated Property
Tfus	273.71	K	Relay (1.0) Calculated Property
Vc	0.504	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	[273.40; 323.39]	J/mol×K	[504.16; 709.16]
Cp,gas	273.40	J/mol×K	504.16	Joback Calculated Property
Cp,gas	283.26	J/mol×K	538.33	Joback Calculated Property
Cp,gas	292.48	J/mol×K	572.49	Joback Calculated Property
Cp,gas	301.08	J/mol×K	606.66	Joback Calculated Property
Cp,gas	309.08	J/mol×K	640.83	Joback Calculated Property
Cp,gas	316.51	J/mol×K	675.00	Joback Calculated Property
Cp,gas	323.39	J/mol×K	709.16	Joback Calculated Property
η	[0.0002687; 0.0049491]	Pa×s	[291.89; 504.16]
η	0.0049491	Pa×s	291.89	Joback Calculated Property
η	0.0023425	Pa×s	327.27	Joback Calculated Property
η	0.0012830	Pa×s	362.65	Joback Calculated Property
η	0.0007821	Pa×s	398.02	Joback Calculated Property
η	0.0005168	Pa×s	433.40	Joback Calculated Property
η	0.0003636	Pa×s	468.78	Joback Calculated Property
η	0.0002687	Pa×s	504.16	Joback Calculated Property

Similar Compounds

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

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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