Chemical Properties of Butanoic acid, 3-chloro, 3-methylbutyl ester (CAS 62108-79-6)

Butanoic acid, 3-chloro, 3-methylbutyl ester

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InChI
InChI=1S/C9H17ClO2/c1-7(2)4-5-12-9(11)6-8(3)10/h7-8H,4-6H2,1-3H3
InChI Key
MRDAYXFMDDPCQA-UHFFFAOYSA-N
Formula
C9H17ClO2
SMILES
CC(C)CCOC(=O)CC(C)Cl
Molecular Weight1
192.68
CAS
62108-79-6
Other Names
  • 3-Methylbutyl 3-chlorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5350.50 ± 8.40 kJ/mol NIST
Δcliquid -5340.50 kJ/mol NIST
Δf -225.83 kJ/mol Joback Calculated Property
Δfgas -589.90 ± 9.60 kJ/mol NIST
Δfliquid -644.30 ± 8.40 kJ/mol NIST
Δfus 19.00 kJ/mol Joback Calculated Property
Δvap 54.40 ± 4.20 kJ/mol NIST
logPoct/wat 2.59 Crippen Calculated Property
Pc 2363.37 kPa Joback Calculated Property
Tboil 518.16 K Joback Calculated Property
Tc 704.64 K Joback Calculated Property
Tfus 263.27 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 352.64 J/mol×K 518.16 Joback Calculated Property
η 0.00 Pa×s 518.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Butyl 3-chlorobutanoate. Propyl 3-chlorobutanoate. Pentyl 3-chlorobutanoate. 3-Methylbutyl 3-chloropropionate. Butanoic acid, 3-chloro, 2-methylpropyl ester. Hexyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 4-pentenyl ester. Ethyl 3-chlorobutanoate. Butanoic acid, 3-chloro, octadecyl ester. Hexadecyl 3-chlorobutanoate. Butanoic acid, 3-chloro, tetradecyl ester. Decyl 3-chlorobutanoate. Octyl 3-chlorobutanoate. Butanoic acid, 3-chloro, 3-butenyl ester. n-Butyl-3-chloropropionate.

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