Chemical Properties of 2-Acetoxyisobutyryl chloride (CAS 40635-66-3)

InChI

InChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3

InChI Key

RBTCRFLJLUNCLL-UHFFFAOYSA-N

Formula

C6H9ClO3

SMILES

CC(=O)OC(C)(C)C(=O)Cl

Molecular Weight¹

164.59

CAS

40635-66-3

Other Names

• Propanoyl chloride, 2-(acetyloxy)-2-methyl-
• 2-Chloro-1,1-dimethyl-2-oxoethyl acetate
• 1-Chlorocarbonyl-1-methylethyl acetate
• Acetic acid 2-chloro-1,1-dimethyl-2-oxoethyl ester
• Lactoyl chloride, 2-methyl-, acetate
• 2-acetoxyisobutyroyl 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.97; 335.74]	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			1.86200e+01
Coefficient B			6.23660e-01
Coefficient C			-3.81500e-04
Coefficient D			7.49600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.97	J/mol×K	273.00	Calculated Property
Cp,gas	194.83	J/mol×K	353.78	Calculated Property
Cp,gas	223.74	J/mol×K	434.56	Calculated Property
Cp,gas	248.96	J/mol×K	515.33	Calculated Property
Cp,gas	270.70	J/mol×K	596.11	Calculated Property
Cp,gas	289.22	J/mol×K	676.89	Calculated Property
Cp,gas	304.75	J/mol×K	757.67	Calculated Property
Cp,gas	317.52	J/mol×K	838.44	Calculated Property
Cp,gas	327.77	J/mol×K	919.22	Calculated Property
Cp,gas	335.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052040; 0.0003098]	Pa×s	[281.98; 480.90]	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			-1.20786e+01
Coefficient B			1.92317e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			281.98
Temperature range, max.			480.90
η	0.0052040	Pa×s	281.98	Calculated Property
η	0.0031699	Pa×s	304.08	Calculated Property
η	0.0020651	Pa×s	326.18	Calculated Property
η	0.0014205	Pa×s	348.29	Calculated Property
η	0.0010217	Pa×s	370.39	Calculated Property
η	0.0007627	Pa×s	392.49	Calculated Property
η	0.0005874	Pa×s	414.59	Calculated Property
η	0.0004645	Pa×s	436.70	Calculated Property
η	0.0003757	Pa×s	458.80	Calculated Property
η	0.0003098	Pa×s	480.90	Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetoxyisobutyryl chloride.

Sources

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

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