Chemical Properties of Butanoic acid, 4-chloro- (CAS 627-00-9)

InChI

InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

InChI Key

IPLKGJHGWCVSOG-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

O=C(O)CCCCl

Molecular Weight¹

122.55

CAS

627-00-9

Other Names

• 4-Chlorobutanoic acid
• 4-Chlorobutyric acid
• Butyric acid, 4-chloro-
• Cl(CH2)3COOH
• Gammachlorobutyric acid
• «gamma»-Chloro-n-butyric acid
• «gamma»-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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6582		Relay (1.0) Calculated Property
ΔcH°liquid	[-2031.80; -2028.00]	kJ/mol
ΔcH°liquid	-2031.80 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2028.00	kJ/mol	NIST
ΔfG°	-373.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.46	kJ/mol	Joback Calculated Property
ΔvapH°	73.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.73	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	1.090		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	4162.33	kPa	Joback Calculated Property
Inp	1063.10		NIST
Tboil	490.69	K	Relay (1.0) Calculated Property
Tc	705.11	K	Relay (1.0) Calculated Property
Tfus	301.38	K	Relay (1.0) Calculated Property
Vc	0.314	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.36; 206.37]	J/mol×K	[474.06; 673.60]
Cp,gas	169.36	J/mol×K	474.06	Joback Calculated Property
Cp,gas	176.44	J/mol×K	507.32	Joback Calculated Property
Cp,gas	183.14	J/mol×K	540.57	Joback Calculated Property
Cp,gas	189.46	J/mol×K	573.83	Joback Calculated Property
Cp,gas	195.43	J/mol×K	607.08	Joback Calculated Property
Cp,gas	201.06	J/mol×K	640.34	Joback Calculated Property
Cp,gas	206.37	J/mol×K	673.60	Joback Calculated Property
η	[0.0003528; 0.0016937]	Pa×s	[325.36; 474.06]
η	0.0016937	Pa×s	325.36	Joback Calculated Property
η	0.0011888	Pa×s	350.14	Joback Calculated Property
η	0.0008743	Pa×s	374.93	Joback Calculated Property
η	0.0006680	Pa×s	399.71	Joback Calculated Property
η	0.0005267	Pa×s	424.49	Joback Calculated Property
η	0.0004263	Pa×s	449.28	Joback Calculated Property
η	0.0003528	Pa×s	474.06	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Butanoic acid, 4-chloro-.

Sources

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

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