Chemical Properties of 2-Ethylbutyryl chloride (CAS 2736-40-5)

InChI

InChI=1S/C6H11ClO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3

InChI Key

SMUKODJVMQOSAB-UHFFFAOYSA-N

Formula

C6H11ClO

SMILES

CCC(CC)C(=O)Cl

Molecular Weight¹

134.60

CAS

2736-40-5

Other Names

• Butanoyl chloride, 2-ethyl-
• Butyryl chloride, 2-ethyl-
• 2-Ethylbutyroyl chloride
• 2-Ethylbutiryl chloride
• Diethylacetyl chloride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-321.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.57	kJ/mol	Joback Calculated Property
ΔvapH°	42.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.20		Relay (1.0) Calculated Property
logPoct/wat	2.188		Crippen Calculated Property
McVol	109.210	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[850.60; 850.60]
Inp	850.60		NIST
Inp	850.60		NIST
Tboil	[413.00; 413.00]	K
Tboil	413.00 ± 6.00	K	NIST
Tboil	413.00 ± 6.00	K	NIST
Tc	598.13	K	Relay (1.0) Calculated Property
Tfus	168.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.32; 257.59]	J/mol×K	[427.74; 617.07]
Cp,gas	203.32	J/mol×K	427.74	Joback Calculated Property
Cp,gas	213.45	J/mol×K	459.29	Joback Calculated Property
Cp,gas	223.13	J/mol×K	490.85	Joback Calculated Property
Cp,gas	232.37	J/mol×K	522.40	Joback Calculated Property
Cp,gas	241.19	J/mol×K	553.96	Joback Calculated Property
Cp,gas	249.59	J/mol×K	585.51	Joback Calculated Property
Cp,gas	257.59	J/mol×K	617.07	Joback Calculated Property
η	[0.0003349; 0.0059488]	Pa×s	[222.23; 427.74]
η	0.0059488	Pa×s	222.23	Joback Calculated Property
η	0.0026738	Pa×s	256.48	Joback Calculated Property
η	0.0014510	Pa×s	290.73	Joback Calculated Property
η	0.0008957	Pa×s	324.99	Joback Calculated Property
η	0.0006062	Pa×s	359.24	Joback Calculated Property
η	0.0004391	Pa×s	393.49	Joback Calculated Property
η	0.0003349	Pa×s	427.74	Joback Calculated Property
ΔvapH	39.40	kJ/mol	362.50	NIST

Similar Compounds

Find more compounds similar to 2-Ethylbutyryl chloride.

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.
These property values are available through the Cheméo API. A free account gives you an access key.