Chemical Properties of Butanoic acid, 3-chloro- (CAS 1951-12-8)

InChI

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

InChI Key

XEEMVPPCXNTVNP-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

CC(Cl)CC(=O)O

Molecular Weight¹

122.55

CAS

1951-12-8

Other Names

• Butyric acid, 3-chloro-
• «beta»-Chlorobutyric acid
• 3-Chlorobutanoic acid
• 3-Chlorobutyric acid
• beta-Chlorobutyric 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	0.6147		Relay (1.0) Calculated Property
ΔcH°liquid	[-2041.80; -2037.00]	kJ/mol
ΔcH°liquid	-2041.80 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2037.00	kJ/mol	NIST
ΔfG°	-297.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-517.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.48	kJ/mol	Joback Calculated Property
ΔvapH°	69.63	kJ/mol	Relay (1.0) Calculated Property
IE	10.74	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	461.00	K	Relay (1.0) Calculated Property
Tc	659.52	K	Relay (1.0) Calculated Property
Tfus	299.85	K	Relay (1.0) Calculated Property
Vc	0.296	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, 3-chloro-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.