Chemical Properties of Isobutyl 3-chloropropionate (CAS 62108-68-3)

Isobutyl 3-chloropropionate

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InChI
InChI=1S/C7H13ClO2/c1-6(2)5-10-7(9)3-4-8/h6H,3-5H2,1-2H3
InChI Key
NLGHCSSXCMOGKD-UHFFFAOYSA-N
Formula
C7H13ClO2
SMILES
CC(C)COC(=O)CCCl
Molecular Weight1
164.63
CAS
62108-68-3
Other Names
  • 3-Chloropropionic acid, 2-methylpropyl ester
  • Isobutyl 3-chloropropionate
  • Propanoic acid, 3-chloro-, 2-methylpropyl ester
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4063.50 ± 8.40 kJ/mol NIST
Δcliquid -4056.00 kJ/mol NIST
Δf -240.23 kJ/mol Joback Calculated Property
Δfgas -517.60 ± 9.60 kJ/mol NIST
Δfliquid -572.80 ± 8.40 kJ/mol NIST
Δfus 17.35 kJ/mol Joback Calculated Property
Δvap 55.20 ± 4.20 kJ/mol NIST
logPoct/wat 1.81 Crippen Calculated Property
Pc 2850.52 kPa Joback Calculated Property
Tboil 472.84 K Joback Calculated Property
Tc 659.46 K Joback Calculated Property
Tfus 255.73 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.41 J/mol×K 472.84 Joback Calculated Property
η 0.00 Pa×s 472.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
-CH2- 3
-CH3 2

Similar Compounds

Propanoic acid, 3-chloro-, propyl ester. 1-Propanol, 3-chloro, 2-methylpropanoate. Propanoic acid, 2-methylpropyl ester. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Butanoic acid, 3-chloro, 2-methylpropyl ester. n-Butyl-3-chloropropionate. Ethyl 3-chloropropionate. Propanoic acid, 3-chloro, 1,2-dimethylpropyl ester. 1-Propanol, 3-chloro, propanoate. 3-Methylbutyl 3-chloropropionate. N-Propyl iso-butyrate. Propanoic acid, 3-chloro, 3-butenyl ester. Propanoic acid, 2-methyl-, anhydride. Butanoic acid, 2-methylpropyl ester. 3-Chloropropionic acid, pentyl ester.

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