Chemical Properties of n-Butyl 2-(4-bromophenyl)acetate

n-Butyl 2-(4-bromophenyl)acetate

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InChI
InChI=1S/C12H15BrO2/c1-2-3-8-15-12(14)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChI Key
MMLFPGZTRUZTEV-UHFFFAOYSA-N
Formula
C12H15BrO2
SMILES
CCCCOC(=O)Cc1ccc(Br)cc1
Molecular Weight1
271.15
Sources

Physical Properties

Property Value Unit Source
Δf -66.66 kJ/mol Joback Calculated Property
Δfgas -284.42 kJ/mol Joback Calculated Property
Δfus 28.56 kJ/mol Joback Calculated Property
Δvap 60.84 kJ/mol Joback Calculated Property
logPoct/wat 3.335 Crippen Calculated Property
Pc 2659.77 kPa Joback Calculated Property
Tboil 648.07 K Joback Calculated Property
Tc 867.01 K Joback Calculated Property
Tfus 395.90 K Joback Calculated Property
Vc 0.685 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 433.91 J/mol×K 648.07 Joback Calculated Property
η 0.0001710 Pa×s 648.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
-CH3 1
-Br 1

Similar Compounds

Ethyl 2-(4-bromophenyl)acetate. Benzeneacetic acid, butyl ester. Acetic acid, phenyl-, isopentyl ester. Pentyl phenylacetate. Benzeneacetic acid, hexyl ester. Phenylacetic acid, 2-methylbutyl ester. Phenylacetic acid propyl ester. Benzeneacetic acid, heptyl ester. Benzeneacetic acid, decyl ester. Benzeneacetic acid, octyl ester. Benzeneacetic acid, nonyl ester. Benzeneacetic acid, 2-methylpropyl ester. 4-Bromophenylacetic acid. Glutaric acid, 2-(4-bromophenyl)ethyl butyl ester. Glutaric acid, 2-(4-bromophenyl)ethyl pentyl ester.

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