Chemical Properties of Propanoic acid, 3-chloro-, 1-methylethyl ester (CAS 691-93-0)

Propanoic acid, 3-chloro-, 1-methylethyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C6H11ClO2/c1-5(2)9-6(8)3-4-7/h5H,3-4H2,1-2H3
InChI Key
YPAMSUOJRFMSIA-UHFFFAOYSA-N
Formula
C6H11ClO2
SMILES
CC(C)OC(=O)CCCl
Molecular Weight1
150.60
CAS
691-93-0
Other Names
  • 3-Chloropropionic acid, isopropyl ester
  • Isopropyl 3-chloropropionate
  • Isopropyl-beta-chloro propionate
  • Propionic acid, 3-chloro-, isopropyl ester
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3396.00 kJ/mol NIST
Δf -248.65 kJ/mol Joback Calculated Property
Δfgas -432.99 kJ/mol Joback Calculated Property
Δfus 14.76 kJ/mol Joback Calculated Property
Δvap 42.10 kJ/mol Joback Calculated Property
logPoct/wat 1.57 Crippen Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Tboil 449.96 K Joback Calculated Property
Tc 638.50 K Joback Calculated Property
Tfus 244.46 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 225.04 J/mol×K 449.96 Joback Calculated Property
η 0.00 Pa×s 449.96 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propanoic acid, 3-chloro, 1,1-dimethylethyl ester. Ethyl 3-chloropropionate. 3-Chloropropanoic acid, 2-butyl ester. Isopropyl propionate. Butanoic acid, 3-chloro, 1-methylethyl ester. Propanoic acid, 3-chloro-, propyl ester. 3-Chloropropanoic acid, 2-pentyl ester. Propanoic acid, 3-chloro, 1,2-dimethylpropyl ester. n-Butyl-3-chloropropionate. Butanoic acid, 3-chloro, 1,1-dimethylethyl ester. Propanoic acid, 3-chloro, 2-propynyl ester. Propanoic acid, 2-methyl-, 1-methylethyl ester. Butanoic acid, 1-methylethyl ester. Propanoic acid, 1,1-dimethylethyl ester. Propanoic acid, 3-chloro, 1,1-dimethylpropyl ester.

Find more compounds similar to Propanoic acid, 3-chloro-, 1-methylethyl ester.

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.