Chemical Properties of Butanoic acid, 4-chloro-, methyl ester (CAS 3153-37-5)

InChI

InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

InChI Key

ZZUYIRISBMWFMV-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

COC(=O)CCCCl

Molecular Weight¹

136.58

CAS

3153-37-5

Other Names

• 4-Chlorobutanoic acid methyl ester
• 4-Chlorobutyric acid methyl ester
• Butyric acid, 4-chloro-, methyl ester
• ClCH2(CH2)2C(O)OCH3
• Methyl «gamma»-chlorobutyrate
• Methyl «omega»-chlorobutyrate
• methyl 4-chlorobutanoate
• methyl 4-chlorobutyrate
• «gamma»-Chlorobutyric acid methyl ester

• 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_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
ΔcH°liquid	-2733.00	kJ/mol	NIST
ΔfG°	-254.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-407.07	kJ/mol	Joback Calculated Property
ΔfusH°	15.69	kJ/mol	Joback Calculated Property
ΔvapH°	40.27	kJ/mol	Joback Calculated Property
IE	10.30 ± 0.30	eV	NIST
log10WS	-0.93		Crippen Calculated Property
logPoct/wat	1.178		Crippen Calculated Property
McVol	100.990	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[920.00; 972.20]
Inp	941.00		NIST
Inp	924.00		NIST
Inp	920.00		NIST
Inp	923.00		NIST
Inp	922.00		NIST
Inp	941.00		NIST
Inp	933.00		NIST
Inp	927.00		NIST
Inp	937.00		NIST
Inp	Outlier 972.20		NIST
Inp	Outlier 972.20		NIST
Inp	941.00		NIST
Tboil	448.70	K	NIST
Tc	613.54	K	Joback Calculated Property
Tfus	248.19	K	Joback Calculated Property
Vc	0.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.82; 232.29]	J/mol×K	[427.52; 613.54]
Cp,gas	186.82	J/mol×K	427.52	Joback Calculated Property
Cp,gas	195.11	J/mol×K	458.52	Joback Calculated Property
Cp,gas	203.12	J/mol×K	489.53	Joback Calculated Property
Cp,gas	210.84	J/mol×K	520.53	Joback Calculated Property
Cp,gas	218.28	J/mol×K	551.53	Joback Calculated Property
Cp,gas	225.43	J/mol×K	582.53	Joback Calculated Property
Cp,gas	232.29	J/mol×K	613.54	Joback Calculated Property
η	[0.0010890; 0.0015190]	Pa×s	[298.15; 318.15]
η	0.0015190	Pa×s	298.15	Densiti...
η	0.0012790	Pa×s	308.15	Densiti...
η	0.0010890	Pa×s	318.15	Densiti...

Similar Compounds

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

Mixtures

• Benzene + Butanoic acid, 4-chloro-, methyl ester
• Toluene + Butanoic acid, 4-chloro-, methyl ester
• Butanoic acid, 4-chloro-, methyl ester + o-Xylene
• Benzene, 1,3-dimethyl- + Butanoic acid, 4-chloro-, methyl ester
• p-Xylene + Butanoic acid, 4-chloro-, methyl ester

Sources

• Crippen Method
• Crippen Method
• Densities and Viscosities of Binary Mixtures of Methyl 4-Chlorobutyrate with Aromatic Hydrocarbons at T ) (298.15 to 318.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.