Chemical Properties of 2,2,2-Trichloroethyl acetate (CAS 625-24-1)

InChI

InChI=1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3

InChI Key

XHAXVDWUMCHTCY-UHFFFAOYSA-N

Formula

C4H5Cl3O2

SMILES

CC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

191.44

CAS

625-24-1

Other Names

• Acetic 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.3496		Relay (1.0) Calculated Property
ΔfG°	-360.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.66	kJ/mol	Joback Calculated Property
ΔvapH°	54.13	kJ/mol	Relay (1.0) Calculated Property
IE	10.71	eV	Relay (1.0) Calculated Property
log10WS	-1.99		Relay (1.0) Calculated Property
logPoct/wat	1.920		Crippen Calculated Property
McVol	111.380	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[965.00; 999.00]
Inp	974.00		NIST
Inp	978.00		NIST
Inp	991.00		NIST
Inp	999.00		NIST
Inp	965.00		NIST
Inp	988.00		NIST
Inp	974.00		NIST
Inp	988.00		NIST
I	[1422.00; 1470.00]
I	1422.00		NIST
I	1441.00		NIST
I	1432.00		NIST
I	Outlier 1470.00		NIST
I	1438.00		NIST
I	1438.00		NIST
I	1422.00		NIST
Tboil	448.45	K	Relay (1.0) Calculated Property
Tc	642.06	K	Relay (1.0) Calculated Property
Tfus	301.18	K	Relay (1.0) Calculated Property
Vc	0.396	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.43; 231.56]	J/mol×K	[458.40; 669.30]
Cp,gas	194.43	J/mol×K	458.40	Joback Calculated Property
Cp,gas	201.89	J/mol×K	493.55	Joback Calculated Property
Cp,gas	208.81	J/mol×K	528.70	Joback Calculated Property
Cp,gas	215.22	J/mol×K	563.85	Joback Calculated Property
Cp,gas	221.13	J/mol×K	599.00	Joback Calculated Property
Cp,gas	226.57	J/mol×K	634.15	Joback Calculated Property
Cp,gas	231.56	J/mol×K	669.30	Joback Calculated Property
η	[0.0003452; 0.0056990]	Pa×s	[269.35; 458.40]
η	0.0056990	Pa×s	269.35	Joback Calculated Property
η	0.0027962	Pa×s	300.86	Joback Calculated Property
η	0.0015702	Pa×s	332.37	Joback Calculated Property
η	0.0009744	Pa×s	363.88	Joback Calculated Property
η	0.0006525	Pa×s	395.38	Joback Calculated Property
η	0.0004636	Pa×s	426.89	Joback Calculated Property
η	0.0003452	Pa×s	458.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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