Chemical Properties of Methyl 4-benzoylbutyrate (CAS 1501-04-8)

Methyl 4-benzoylbutyrate

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InChI
InChI=1S/C12H14O3/c1-15-12(14)9-5-8-11(13)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChI Key
GRIWFUFDJOESIC-UHFFFAOYSA-N
Formula
C12H14O3
SMILES
COC(=O)CCCC(=O)c1ccccc1
Molecular Weight1
206.24
CAS
1501-04-8
Other Names
  • Benzenepentanoic acid, «delta»-oxo-, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -200.27 kJ/mol Joback Calculated Property
Δfgas -411.86 kJ/mol Joback Calculated Property
Δfus 25.26 kJ/mol Joback Calculated Property
Δvap 60.48 kJ/mol Joback Calculated Property
logPoct/wat 2.21 Crippen Calculated Property
Pc 2684.64 kPa Joback Calculated Property
Tboil 427.00 ± 1.00 K NIST
Tc 844.08 K Joback Calculated Property
Tfus 373.51 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 412.34 J/mol×K 630.8 Joback Calculated Property
η 0.00 Pa×s 630.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
>C=O (nonring) 2

Similar Compounds

Benzenepentanoic acid, .delta.-oxo-. 6-Benzoylhexanoic acid. 7-Benzoylheptanoic acid. 8-Benzoyloctanoic acid. Valerophenone. 1-Hexanone, 1-phenyl-. Isocaprophenone. Heptanophenone. 1,4-Dibenzoyl-butane. HEXADECANOPHENONE. Tetradecanophenone. 1-Octanone, 1-phenyl-. Octadecanophenone. Pentadecanophenone. 1-Phenylnonan-1-one.

Find more compounds similar to Methyl 4-benzoylbutyrate.

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