Chemical Properties of METHYL 3-CHLOROBUTANOATE

InChI

InChI=1S/C5H9ClO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3

InChI Key

HDQHWBXUKZBPDN-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

COC(=O)CC(C)Cl

Molecular Weight¹

136.58

Other Names

• Butanoic acid, 3-chloro-, methyl ester
• Methyl 3-chlorobutanoate
• Methyl 3-chlorobutyrate

• 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_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
ω	0.3992		Relay (1.0) Calculated Property
ΔcH°liquid	-2735.00	kJ/mol	NIST
ΔfH°gas	-490.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.75	kJ/mol	Joback Calculated Property
ΔvapH°	48.20	kJ/mol	Relay (1.0) Calculated Property
IE	10.44	eV	Relay (1.0) Calculated Property
log10WS	-1.05		Relay (1.0) Calculated Property
logPoct/wat	1.177		Crippen Calculated Property
McVol	100.990	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[859.00; 881.00]
Inp	881.00		NIST
Inp	870.00		NIST
Inp	873.00		NIST
Inp	864.00		NIST
Inp	859.00		NIST
Inp	869.00		NIST
Inp	881.00		NIST
Inp	869.00		NIST
Tboil	405.98	K	Relay (1.0) Calculated Property
Tc	610.06	K	Relay (1.0) Calculated Property
Tfus	218.29	K	Relay (1.0) Calculated Property
Vc	0.365	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.99; 232.19]	J/mol×K	[409.21; 595.72]
Cp,gas	183.99	J/mol×K	409.21	Joback Calculated Property
Cp,gas	192.88	J/mol×K	440.29	Joback Calculated Property
Cp,gas	201.43	J/mol×K	471.38	Joback Calculated Property
Cp,gas	209.63	J/mol×K	502.46	Joback Calculated Property
Cp,gas	217.49	J/mol×K	533.55	Joback Calculated Property
Cp,gas	225.01	J/mol×K	564.63	Joback Calculated Property
Cp,gas	232.19	J/mol×K	595.72	Joback Calculated Property
η	[0.0002909; 0.0088387]	Pa×s	[203.36; 409.21]
η	0.0088387	Pa×s	203.36	Joback Calculated Property
η	0.0033184	Pa×s	237.67	Joback Calculated Property
η	0.0015952	Pa×s	271.98	Joback Calculated Property
η	0.0009036	Pa×s	306.28	Joback Calculated Property
η	0.0005739	Pa×s	340.59	Joback Calculated Property
η	0.0003961	Pa×s	374.90	Joback Calculated Property
η	0.0002909	Pa×s	409.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to METHYL 3-CHLOROBUTANOATE.

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.
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