Chemical Properties of Propanoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C5H7Cl3O2/c1-2-4(9)10-3-5(6,7)8/h2-3H2,1H3

InChI Key

MEFWWUOADZDECZ-UHFFFAOYSA-N

Formula

C5H7Cl3O2

SMILES

CCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

205.47

Other Names

• 2,2,2-Trichloroethyl propionate
• 2,2,2-Trichloroethyl propanoate

• 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	0.3962		Relay (1.0) Calculated Property
ΔfG°	-352.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-486.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.25	kJ/mol	Joback Calculated Property
ΔvapH°	55.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.77	eV	Relay (1.0) Calculated Property
log10WS	-2.29		Relay (1.0) Calculated Property
logPoct/wat	2.310		Crippen Calculated Property
McVol	125.470	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1057.00; 1101.00]
Inp	1078.00		NIST
Inp	1080.00		NIST
Inp	1089.00		NIST
Inp	1094.00		NIST
Inp	1101.00		NIST
Inp	1057.00		NIST
Inp	1087.00		NIST
Inp	1087.00		NIST
Inp	1078.00		NIST
Inp	1057.00		NIST
I	[1484.00; 1532.00]
I	1484.00		NIST
I	1504.00		NIST
I	1494.00		NIST
I	Outlier 1532.00		NIST
I	1503.00		NIST
I	1484.00		NIST
I	1503.00		NIST
Tboil	461.79	K	Relay (1.0) Calculated Property
Tc	657.94	K	Relay (1.0) Calculated Property
Tfus	287.59	K	Relay (1.0) Calculated Property
Vc	0.451	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.88; 276.82]	J/mol×K	[481.28; 689.25]
Cp,gas	232.88	J/mol×K	481.28	Joback Calculated Property
Cp,gas	241.62	J/mol×K	515.94	Joback Calculated Property
Cp,gas	249.75	J/mol×K	550.60	Joback Calculated Property
Cp,gas	257.32	J/mol×K	585.27	Joback Calculated Property
Cp,gas	264.34	J/mol×K	619.93	Joback Calculated Property
Cp,gas	270.83	J/mol×K	654.59	Joback Calculated Property
Cp,gas	276.82	J/mol×K	689.25	Joback Calculated Property
η	[0.0003054; 0.0053361]	Pa×s	[280.62; 481.28]
η	0.0053361	Pa×s	280.62	Joback Calculated Property
η	0.0025698	Pa×s	314.06	Joback Calculated Property
η	0.0014245	Pa×s	347.51	Joback Calculated Property
η	0.0008758	Pa×s	380.95	Joback Calculated Property
η	0.0005825	Pa×s	414.39	Joback Calculated Property
η	0.0004117	Pa×s	447.84	Joback Calculated Property
η	0.0003054	Pa×s	481.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2,2,2-trichloroethyl ester.

Sources

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

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