Chemical Properties of 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester

3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C12H19ClO2/c1-4-5-6-11(9-10(2)3)15-12(14)7-8-13/h10-11H,4,7-9H2,1-3H3
InChI Key
UZTJDQYZKQSKGR-UHFFFAOYSA-N
Formula
C12H19ClO2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCl
Molecular Weight1
230.73
Sources

Physical Properties

Property Value Unit Source
Δf 2.23 kJ/mol Joback Calculated Property
Δfgas -289.81 kJ/mol Joback Calculated Property
Δfus 29.90 kJ/mol Joback Calculated Property
Δvap 57.22 kJ/mol Joback Calculated Property
logPoct/wat 2.99 Crippen Calculated Property
Pc 2094.58 kPa Joback Calculated Property
Tboil 595.80 K Joback Calculated Property
Tc 796.63 K Joback Calculated Property
Tfus 403.18 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.46 J/mol×K 595.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-Cl 1
>C=O (nonring) 1
#C- 2
-CH2- 4
-CH3 3

Similar Compounds

Butanoic acid, 2-methyloct-5-yn-4-yl ester. Valeric acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Cyclopropanecarboxylic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester.

Find more compounds similar to 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester.

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