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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.84; 193.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.59700e+01
Coefficient B			3.52320e-01
Coefficient C			-2.35600e-04
Coefficient D			6.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.84	J/mol×K	273.00	Calculated Property
Cp,gas	113.83	J/mol×K	353.78	Calculated Property
Cp,gas	129.59	J/mol×K	434.56	Calculated Property
Cp,gas	143.31	J/mol×K	515.33	Calculated Property
Cp,gas	155.19	J/mol×K	596.11	Calculated Property
Cp,gas	165.42	J/mol×K	676.89	Calculated Property
Cp,gas	174.19	J/mol×K	757.67	Calculated Property
Cp,gas	181.70	J/mol×K	838.44	Calculated Property
Cp,gas	188.14	J/mol×K	919.22	Calculated Property
Cp,gas	193.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020572; 0.0003269]	Pa×s	[299.09; 460.29]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14390e+01
Coefficient B			1.57100e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			299.09
Temperature range, max.			460.29
η	0.0020572	Pa×s	299.09	Calculated Property
η	0.0015289	Pa×s	317.00	Calculated Property
η	0.0011729	Pa×s	334.91	Calculated Property
η	0.0009244	Pa×s	352.82	Calculated Property
η	0.0007455	Pa×s	370.74	Calculated Property
η	0.0006132	Pa×s	388.65	Calculated Property
η	0.0005132	Pa×s	406.56	Calculated Property
η	0.0004360	Pa×s	424.47	Calculated Property
η	0.0003753	Pa×s	442.38	Calculated Property
η	0.0003269	Pa×s	460.29	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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