Chemical Properties of Propanoic acid, 2-chloro- (CAS 598-78-7)

InChI

InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChI Key

GAWAYYRQGQZKCR-UHFFFAOYSA-N

Formula

C3H5ClO2

SMILES

CC(Cl)C(=O)O

Molecular Weight¹

108.52

CAS

598-78-7

Other Names

• 2-Chloropropanoic acid
• 2-Chloropropionic acid
• 2-chloroproprionic acid
• Propionic acid, 2-chloro-
• Propionic acid, «alpha»-chloro-
• «alpha»-Chloropropionic acid
• «alpha»-Monochloropropionic acid

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.5723		Relay (1.0) Calculated Property
ΔcH°liquid	[-1396.20; -1393.00]	kJ/mol
ΔcH°liquid	-1396.20 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-1393.00	kJ/mol	NIST
ΔfG°	-383.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.34	kJ/mol	Joback Calculated Property
ΔvapH°	62.18	kJ/mol	Relay (1.0) Calculated Property
IE	10.87	eV	Relay (1.0) Calculated Property
log10WS	0.45		Relay (1.0) Calculated Property
logPoct/wat	0.698		Crippen Calculated Property
McVol	72.810	ml/mol	McGowan Calculated Property
Pc	4782.59	kPa	Joback Calculated Property
Tboil	453.20	K	NIST
Tc	654.44	K	Relay (1.0) Calculated Property
Tfus	279.66	K	Relay (1.0) Calculated Property
Vc	0.267	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.49; 163.12]	J/mol×K	[450.74; 657.56]
Cp,gas	132.49	J/mol×K	450.74	Joback Calculated Property
Cp,gas	138.42	J/mol×K	485.21	Joback Calculated Property
Cp,gas	144.00	J/mol×K	519.68	Joback Calculated Property
Cp,gas	149.24	J/mol×K	554.15	Joback Calculated Property
Cp,gas	154.16	J/mol×K	588.62	Joback Calculated Property
Cp,gas	158.78	J/mol×K	623.09	Joback Calculated Property
Cp,gas	163.12	J/mol×K	657.56	Joback Calculated Property
η	[0.0003514; 0.0020572]	Pa×s	[299.09; 450.74]
η	0.0020572	Pa×s	299.09	Joback Calculated Property
η	0.0013662	Pa×s	324.37	Joback Calculated Property
η	0.0009626	Pa×s	349.64	Joback Calculated Property
η	0.0007111	Pa×s	374.91	Joback Calculated Property
η	0.0005457	Pa×s	400.19	Joback Calculated Property
η	0.0004322	Pa×s	425.47	Joback Calculated Property
η	0.0003514	Pa×s	450.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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