Chemical Properties of 4-Bromobutanoic acid, but-3-yn-2-yl ester

4-Bromobutanoic acid, but-3-yn-2-yl ester

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InChI
InChI=1S/C8H11BrO2/c1-3-7(2)11-8(10)5-4-6-9/h1,7H,4-6H2,2H3
InChI Key
VMCJSLLRIQSERH-UHFFFAOYSA-N
Formula
C8H11BrO2
SMILES
C#CC(C)OC(=O)CCCBr
Molecular Weight1
219.08
Sources

Physical Properties

Property Value Unit Source
Δf 17.51 kJ/mol Joback Calculated Property
Δfgas -140.30 kJ/mol Joback Calculated Property
Δfus 24.00 kJ/mol Joback Calculated Property
Δvap 48.46 kJ/mol Joback Calculated Property
logPoct/wat 1.73 Crippen Calculated Property
Pc 3399.94 kPa Joback Calculated Property
Tboil 514.57 K Joback Calculated Property
Tc 721.90 K Joback Calculated Property
Tfus 343.85 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 285.81 J/mol×K 514.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

5-Bromovaleric acid, but-3-yn-2-yl ester. Valeric acid, but-3-yn-2-yl ester. 6-Bromohexanoic acid, but-3-yn-2-yl ester. Hexanoic acid, but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl isopropyl ester. Glutaric acid, but-3-yn-2-yl ethyl ester. Glutaric acid, di(but-3-yn-2-yl) ester. 5-Chlorovaleric acid, but-3-yn-2-yl ester. 4-Bromobutanoic acid, hex-4-yn-3-yl ester. Octanoic acid, but-3-yn-2-yl ester. Sebacic acid, di(but-3-yn-2-yl) ester. Glutaric acid, but-3-yn-2-yl propyl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Glutaric acid, but-3-yn-2-yl butyl ester. Undec-10-ynoic acid, but-3-yn-2-yl ester.

Find more compounds similar to 4-Bromobutanoic acid, but-3-yn-2-yl ester.

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