Chemical Properties of Propanoic acid, 2,2,3-trichloro-, methyl ester (CAS 4749-35-3)

InChI

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

InChI Key

SXUZAHHOLLSZRC-UHFFFAOYSA-N

Formula

C4H5Cl3O2

SMILES

COC(=O)C(Cl)(Cl)CCl

Molecular Weight¹

191.44

CAS

4749-35-3

Other Names

• Propionic acid, 2,2,3-trichloro-, methyl ester
• Methyl 2,2,3-trichloropropanoate

• 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).
• 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.
• 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
ΔfG°	-284.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-426.66	kJ/mol	Joback Calculated Property
ΔfusH°	14.08	kJ/mol	Joback Calculated Property
ΔvapH°	45.51	kJ/mol	Joback Calculated Property
log10WS	-1.43		Crippen Calculated Property
logPoct/wat	1.572		Crippen Calculated Property
McVol	111.380	ml/mol	McGowan Calculated Property
Pc	3682.02	kPa	Joback Calculated Property
Inp	[1028.00; 1031.00]
Inp	1031.00		NIST
Inp	1030.00		NIST
Inp	1031.00		NIST
Inp	1028.00		NIST
Inp	1031.00		NIST
Tboil	476.27	K	Joback Calculated Property
Tc	690.53	K	Joback Calculated Property
Tfus	299.18	K	Joback Calculated Property
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.64; 231.19]	J/mol×K	[476.27; 690.53]
Cp,gas	195.64	J/mol×K	476.27	Joback Calculated Property
Cp,gas	202.69	J/mol×K	511.98	Joback Calculated Property
Cp,gas	209.27	J/mol×K	547.69	Joback Calculated Property
Cp,gas	215.39	J/mol×K	583.40	Joback Calculated Property
Cp,gas	221.07	J/mol×K	619.11	Joback Calculated Property
Cp,gas	226.33	J/mol×K	654.82	Joback Calculated Property
Cp,gas	231.19	J/mol×K	690.53	Joback Calculated Property
η	[0.0003575; 0.0033897]	Pa×s	[299.18; 476.27]
η	0.0033897	Pa×s	299.18	Joback Calculated Property
η	0.0019690	Pa×s	328.69	Joback Calculated Property
η	0.0012509	Pa×s	358.21	Joback Calculated Property
η	0.0008515	Pa×s	387.73	Joback Calculated Property
η	0.0006120	Pa×s	417.24	Joback Calculated Property
η	0.0004595	Pa×s	446.75	Joback Calculated Property
η	0.0003575	Pa×s	476.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2,2,3-trichloro-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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