Chemical Properties of Butanoic acid, 4-chloro-, ethyl ester (CAS 3153-36-4)

InChI

InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

InChI Key

OPXNFHAILOHHFO-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CCOC(=O)CCCCl

Molecular Weight¹

150.60

CAS

3153-36-4

Other Names

• Butyric acid, 4-chloro-, ethyl ester
• Ethyl «gamma»-chlorobutyrate
• Ethyl 4-chlorobutanoate
• Ethyl 4-chlorobutyrate
• 4-Chlorobutanoic acid ethyl ester
• Cl(CH2)3C(O)OC2H5
• «gamma»-Chlorobutyric acid ethyl ester
• Ethyl «omega»-chlorobutyrate
• 4-Chlorobutyric acid ethyl ester
• NSC 81215

• 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_fH°_liquid : Liquid phase 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_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	0.4799		Relay (1.0) Calculated Property
ΔcH°liquid	[-3390.30; -3383.00]	kJ/mol
ΔcH°liquid	-3390.30 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-3383.00	kJ/mol	NIST
ΔfG°	-246.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-513.80 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-566.50 ± 8.40	kJ/mol	NIST
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	52.70 ± 4.20	kJ/mol	NIST
IE	10.16	eV	Relay (1.0) Calculated Property
log10WS	-1.40		Relay (1.0) Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	3138.51	kPa	Joback Calculated Property
Inp	[1002.00; 1022.00]
Inp	1022.00		NIST
Inp	1018.00		NIST
Inp	1002.00		NIST
Inp	1015.00		NIST
Inp	1022.00		NIST
Tboil	459.20	K	NIST
Tc	633.75	K	Relay (1.0) Calculated Property
Tfus	211.78	K	Relay (1.0) Calculated Property
Vc	0.424	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.90; 277.34]	J/mol×K	[450.40; 634.77]
Cp,gas	224.90	J/mol×K	450.40	Joback Calculated Property
Cp,gas	234.51	J/mol×K	481.13	Joback Calculated Property
Cp,gas	243.77	J/mol×K	511.86	Joback Calculated Property
Cp,gas	252.68	J/mol×K	542.58	Joback Calculated Property
Cp,gas	261.25	J/mol×K	573.31	Joback Calculated Property
Cp,gas	269.47	J/mol×K	604.04	Joback Calculated Property
Cp,gas	277.34	J/mol×K	634.77	Joback Calculated Property
η	[0.0003003; 0.0030315]	Pa×s	[259.46; 450.40]
η	0.0030315	Pa×s	259.46	Joback Calculated Property
η	0.0016707	Pa×s	291.28	Joback Calculated Property
η	0.0010354	Pa×s	323.11	Joback Calculated Property
η	0.0006992	Pa×s	354.93	Joback Calculated Property
η	0.0005036	Pa×s	386.75	Joback Calculated Property
η	0.0003813	Pa×s	418.58	Joback Calculated Property
η	0.0003003	Pa×s	450.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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