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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.78; 326.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.60020e+01
Coefficient B			5.58540e-01
Coefficient C			-3.07500e-04
Coefficient D			5.96600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.78	J/mol×K	273.00	Calculated Property
Cp,gas	177.76	J/mol×K	353.78	Calculated Property
Cp,gas	205.55	J/mol×K	434.56	Calculated Property
Cp,gas	230.34	J/mol×K	515.33	Calculated Property
Cp,gas	252.32	J/mol×K	596.11	Calculated Property
Cp,gas	271.68	J/mol×K	676.89	Calculated Property
Cp,gas	288.61	J/mol×K	757.67	Calculated Property
Cp,gas	303.30	J/mol×K	838.44	Calculated Property
Cp,gas	315.94	J/mol×K	919.22	Calculated Property
Cp,gas	326.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059488; 0.0003249]	Pa×s	[222.23; 431.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11126e+01
Coefficient B			1.33073e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			222.23
Temperature range, max.			431.95
η	0.0059488	Pa×s	222.23	Calculated Property
η	0.0033699	Pa×s	245.53	Calculated Property
η	0.0021067	Pa×s	268.83	Calculated Property
η	0.0014195	Pa×s	292.14	Calculated Property
η	0.0010139	Pa×s	315.44	Calculated Property
η	0.0007585	Pa×s	338.74	Calculated Property
η	0.0005890	Pa×s	362.04	Calculated Property
η	0.0004716	Pa×s	385.34	Calculated Property
η	0.0003873	Pa×s	408.64	Calculated Property
η	0.0003249	Pa×s	431.95	Calculated Property

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

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