Top Clicks This Month

3-Acetyl-1-methylpyrrole - CAS 932-62-7

Quick Inquiry

Name:
* Email:
* Service & Products of Interest:
* Quantity:
* Verification code:
Please input "bocsci" as verification code.
Category
Main Product
Product Name
3-Acetyl-1-methylpyrrole
Catalog Number
932-62-7
Synonyms
3-ACETYL-1-METHYLPYRROLE;METHYL 1-METHYL-3-PYRROLYL KETONE;1-(1-Methyl-1H-pyrrol-3-yl)ethanone;1-(1-Methyl-1H-pyrrol-3-yl)-ethanone;1-(1-methyl-pyrrol-3-yl)-ethanone;Acetylmethylpyrrole;3-ACETYL-1-METHYLPYRROLE 98+%;1-Methyl-3-acetyl-1H-pyrrole
CAS Number
932-62-7
Molecular Weight
123.15
Molecular Formula
C7H9NO
COA
Inquire
MSDS
Inquire
Structure
CAS 932-62-7 3-Acetyl-1-methylpyrrole
Specification
Purity
N/A
Boiling Point
148-150ºC
Density
1.038
Similar Products
Reference Reading
1.Calorimetric and computational study of 2- and 3-acetyl-1-methylpyrrole isomers.
Ribeiro da Silva MA1, Santos AF. J Phys Chem B. 2010 Mar 4;114(8):2846-51. doi: 10.1021/jp911323c.
This work reports the enthalpies of formation in the condensed and gas phases of 2-acetyl-1-methylpyrrole and 3-acetyl-1-methylpyrrole, derived from the standard (p(o) = 0.1 MPa) molar enthalpies of combustion, in oxygen, Delta(c)H(m)(o), measured by static bomb combustion calorimetry and the standard molar enthalpies of vaporization, Delta(l)(g)H(m)(o), at T = 298.15 K, obtained by high-temperature Calvet microcalorimetry. The theoretically estimated gas-phase enthalpies of formation were calculated from high-level ab initio molecular orbital calculations at the G3(MP2)//B3LYP level; the computed values compare very well with the experimental results obtained in this work and show that the 2-acetyl-1-methylpyrrole is thermodynamically more stable than the 3-isomer. Furthermore, this composite method was also applied in the calculation of bond dissociation enthalpies, gas-phase basicities, proton and electron affinities, and adiabatic ionization enthalpies.
2005 - BOC Sciences | All rights reserved
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE
BOCSciences
X CLOSE