Chemical Properties of Butanoic acid, 2-chloro- (CAS 4170-24-5)

InChI

InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

InChI Key

RVBUZBPJAGZHSQ-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

CCC(Cl)C(=O)O

Molecular Weight¹

122.55

CAS

4170-24-5

Other Names

• Butyric acid, 2-chloro-
• «alpha»-Chlorobutyric acid
• 2-Chlorobutyric acid
• 2-Chlorobutanoic acid
• «alpha»-Chloro-n-butyric 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	0.5894		Relay (1.0) Calculated Property
ΔcH°liquid	[-2022.50; -2018.00]	kJ/mol
ΔcH°liquid	-2022.50 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2018.00	kJ/mol	NIST
ΔfG°	-297.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-528.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.48	kJ/mol	Joback Calculated Property
ΔvapH°	63.75	kJ/mol	Relay (1.0) Calculated Property
IE	10.56	eV	Relay (1.0) Calculated Property
log10WS	-0.29		Relay (1.0) Calculated Property
logPoct/wat	1.088		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	4590.15	kPa	Joback Calculated Property
Tboil	455.34	K	Relay (1.0) Calculated Property
Tc	653.92	K	Relay (1.0) Calculated Property
Tfus	259.64	K	Relay (1.0) Calculated Property
Vc	0.306	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.29; 201.77]	J/mol×K	[473.96; 657.92]
Cp,gas	167.29	J/mol×K	473.96	Joback Calculated Property
Cp,gas	173.76	J/mol×K	504.62	Joback Calculated Property
Cp,gas	179.93	J/mol×K	535.28	Joback Calculated Property
Cp,gas	185.81	J/mol×K	565.94	Joback Calculated Property
Cp,gas	191.41	J/mol×K	596.60	Joback Calculated Property
Cp,gas	196.72	J/mol×K	627.26	Joback Calculated Property
Cp,gas	201.77	J/mol×K	657.92	Joback Calculated Property
η	[0.0002468; 0.0347585]	Pa×s	[260.51; 473.96]
η	0.0347585	Pa×s	260.51	Joback Calculated Property
η	0.0092852	Pa×s	296.08	Joback Calculated Property
η	0.0032924	Pa×s	331.66	Joback Calculated Property
η	0.0014271	Pa×s	367.24	Joback Calculated Property
η	0.0007170	Pa×s	402.81	Joback Calculated Property
η	0.0004028	Pa×s	438.38	Joback Calculated Property
η	0.0002468	Pa×s	473.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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