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

• Butyric acid, 4-chloro-
• «gamma»-Chlorobutyric acid
• Gammachlorobutyric acid
• 4-Chlorobutanoic acid
• 4-Chlorobutyric acid
• Cl(CH2)3COOH
• «gamma»-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).
• 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°	-294.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.00	kJ/mol	Joback Calculated Property
ΔvapH°	73.88	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	4540.80	kPa	Joback Calculated Property
Inp	1063.10		NIST
Tboil	490.69	K	Relay (1.0) Calculated Property
Tc	695.86	K	Relay (1.0) Calculated Property
Tfus	302.34	K	Relay (1.0) Calculated Property
Vc	0.303	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.03; 200.53]	J/mol×K	[474.40; 654.46]
Cp,gas	167.03	J/mol×K	474.40	Joback Calculated Property
Cp,gas	173.29	J/mol×K	504.41	Joback Calculated Property
Cp,gas	179.27	J/mol×K	534.42	Joback Calculated Property
Cp,gas	184.98	J/mol×K	564.43	Joback Calculated Property
Cp,gas	190.42	J/mol×K	594.44	Joback Calculated Property
Cp,gas	195.60	J/mol×K	624.45	Joback Calculated Property
Cp,gas	200.53	J/mol×K	654.46	Joback Calculated Property
η	[0.0002591; 0.0190491]	Pa×s	[275.51; 474.40]
η	0.0190491	Pa×s	275.51	Joback Calculated Property
η	0.0063353	Pa×s	308.66	Joback Calculated Property
η	0.0026085	Pa×s	341.81	Joback Calculated Property
η	0.0012565	Pa×s	374.95	Joback Calculated Property
η	0.0006815	Pa×s	408.10	Joback Calculated Property
η	0.0004052	Pa×s	441.25	Joback Calculated Property
η	0.0002591	Pa×s	474.40	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

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.