Chemical Properties of Propanoic acid, 2-chloro-, methyl ester (CAS 17639-93-9)

InChI

InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3

InChI Key

JLEJCNOTNLZCHQ-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

COC(=O)C(C)Cl

Molecular Weight¹

122.55

CAS

17639-93-9

Other Names

• Propionic acid, 2-chloro-, methyl ester
• «alpha»-Chloropropionic acid methyl ester
• Methyl «alpha»-chloropropionate
• Methyl 2-chloropropanoate
• Methyl 2-chloropropionate
• 2-Chloropropionic acid methyl ester
• CH3CHClC(O)OCH3
• UN 2933
• 2-Chloropropanoic acid methyl ester
• NSC 70983

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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.
• 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
ΔcH°liquid	-2105.00	kJ/mol	NIST
ΔfG°	-265.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.71	kJ/mol	Joback Calculated Property
ΔfusH°	9.58	kJ/mol	Joback Calculated Property
ΔvapH°	37.65	kJ/mol	Joback Calculated Property
log10WS	-0.62		Crippen Calculated Property
logPoct/wat	0.787		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	3980.54	kPa	Joback Calculated Property
Inp	[756.00; 790.00]
Inp	781.00		NIST
Inp	774.00		NIST
Inp	Outlier 756.00		NIST
Inp	790.00		NIST
Inp	783.00		NIST
Inp	766.00		NIST
Inp	780.00		NIST
Inp	781.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	772.00		NIST
Inp	781.00		NIST
Inp	766.00		NIST
Inp	772.00		NIST
I	[1198.00; 1261.00]
I	1221.00		NIST
I	1202.00		NIST
I	1236.00		NIST
I	1261.00		NIST
I	1260.00		NIST
I	1202.00		NIST
I	1198.00		NIST
I	1248.00		NIST
Tboil	405.70	K	NIST
Tc	596.19	K	Joback Calculated Property
Tfus	221.92	K	Joback Calculated Property
Vc	0.327	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.16; 190.17]	J/mol×K	[404.20; 596.19]
Cp,gas	151.16	J/mol×K	404.20	Joback Calculated Property
Cp,gas	158.25	J/mol×K	436.20	Joback Calculated Property
Cp,gas	165.11	J/mol×K	468.20	Joback Calculated Property
Cp,gas	171.74	J/mol×K	500.19	Joback Calculated Property
Cp,gas	178.13	J/mol×K	532.19	Joback Calculated Property
Cp,gas	184.27	J/mol×K	564.19	Joback Calculated Property
Cp,gas	190.17	J/mol×K	596.19	Joback Calculated Property
η	[0.0003140; 0.0041012]	Pa×s	[221.92; 404.20]
η	0.0041012	Pa×s	221.92	Joback Calculated Property
η	0.0020651	Pa×s	252.30	Joback Calculated Property
η	0.0012051	Pa×s	282.68	Joback Calculated Property
η	0.0007807	Pa×s	313.06	Joback Calculated Property
η	0.0005462	Pa×s	343.44	Joback Calculated Property
η	0.0004049	Pa×s	373.82	Joback Calculated Property
η	0.0003140	Pa×s	404.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.