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

2-Acetoxyisobutyryl chloride

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
  • 1-Chlorocarbonyl-1-methylethyl acetate
  • 2-Chloro-1,1-dimethyl-2-oxoethyl acetate
  • 2-acetoxyisobutyroyl chloride
  • Acetic acid 2-chloro-1,1-dimethyl-2-oxoethyl ester
  • Lactoyl chloride, 2-methyl-, acetate
  • Propanoyl chloride, 2-(acetyloxy)-2-methyl-
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Physical Properties

Property Value Unit Source
ΔfH°gas -653.11 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.05 kJ/mol Joback Calculated Property
ΔvapH° 53.84 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.093 Crippen Calculated Property
McVol 116.650 ml/mol McGowan Calculated Property
Pc 3287.81 kPa Joback Calculated Property
Tboil 434.23 K Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [239.35; 291.32] J/mol×K [483.17; 687.00] Show Hide
Cp,gas 239.35 J/mol×K 483.17 Joback Calculated Property
Cp,gas 249.48 J/mol×K 517.14 Joback Calculated Property
Cp,gas 259.00 J/mol×K 551.11 Joback Calculated Property
Cp,gas 267.93 J/mol×K 585.08 Joback Calculated Property
Cp,gas 276.28 J/mol×K 619.06 Joback Calculated Property
Cp,gas 284.07 J/mol×K 653.03 Joback Calculated Property
Cp,gas 291.32 J/mol×K 687.00 Joback Calculated Property
η [0.0003041; 0.0052040] Pa×s [281.98; 483.17] Show Hide
η 0.0052040 Pa×s 281.98 Joback Calculated Property
η 0.0025209 Pa×s 315.51 Joback Calculated Property
η 0.0014036 Pa×s 349.04 Joback Calculated Property
η 0.0008660 Pa×s 382.57 Joback Calculated Property
η 0.0005775 Pa×s 416.11 Joback Calculated Property
η 0.0004092 Pa×s 449.64 Joback Calculated Property
η 0.0003041 Pa×s 483.17 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 328.50 ± 0.50 K 0.80 NIST

Similar Compounds

«alpha»-Hydroxyisobutyric acid, acetate. Acetic acid, chloro-, 1,1-dimethylethyl ester. Acetic acid, 1,1-dimethylethyl ester. .alpha.-Hydroxyisobutyric acid, trifluoroacetate. Acetic acid, bromo-, 1,1-dimethylethyl ester. Acetic acid, dichloro-, 1,1-dimethylethyl ester. Di-t-butyl malonate. Acetic acid, trichloro-, 1,1-dimethylethyl ester. Propanoic acid, 2-chloro-, 1,1-dimethylethyl ester. 1,3-Dichloroisopropyl acetate. Acetic acid, dibromo, 1,1-dimethylethyl ester. Di-tert-butyl butanedioate. Propanoic acid, 1,1-dimethylethyl ester. «alpha»-Hydroxyisobutyric acid, pentafluoropropionate. Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester.

Find more compounds similar to 2-Acetoxyisobutyryl chloride.

Sources

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