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Relative Stabilities of Alkenes

Relative Stabilities of Alkenes

The relative stability of alkenes can be determined by comparing their heats of hydrogenation. The lower heat of hydrogenation indicates the more stable alkene. The three main factors determining the relative stability of alkenes are i) the number of substituents attached to the double-bond carbon atoms, ii) hyperconjugation, and iii) the stereochemistry of the double bond.

Physical Properties of Alkanes

Physical Properties of Alkanes

Alkanes are nonpolar molecules due to the presence of only carbon and hydrogen atoms. The electronegativity difference between carbon and hydrogen is minimal, and hence alkanes have a zero dipole moment. This leads to the presence of only dispersion forces between the molecules. The strength of dispersion forces is dependent on the surface area of the molecules on which they act. Since the surface area increases with the molecular length for straight-chain alkanes, the dispersion forces also...

Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes

Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes

The low reactivity in alkanes can be attributed to the non-polar nature of C–C and C–H σ bonds. Alkanes, therefore, were initially termed as “paraffins,” derived from the Latin words: parum, meaning “too little,” and affinis, meaning “affinity.”
Alkanes undergo combustion in the presence of excess oxygen and high-temperature conditions to give carbon dioxide and water. A combustion reaction is the energy source in natural gas, liquified...

Stability of Substituted Cyclohexanes

Stability of Substituted Cyclohexanes

This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...

Stability of Conjugated Dienes

Stability of Conjugated Dienes

Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.

Constitutional Isomers of Alkanes

Constitutional Isomers of Alkanes

Organic compounds of the same molecular formula can have different structural formulas called constitutional isomers, and the phenomenon is known as constitutional isomerism. Alkanes with four or more carbons showing multiple structures with the same molecular formula thereby exhibit constitutional isomerism.
The linear isomer of an alkane is prefixed by the term “n”; hence a linear isomer of pentane is known as n-pentane. Based on the type of branching, some of the...

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Updated: Aug 20, 2025

Spatial Separation of Molecular Conformers and Clusters

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Dynamic odd-even effect in n-alkane systems: a molecular dynamics study.

I Dhiman¹, Marcella C Berg^2,3, Loukas Petridis³

¹Centre for Energy Research, Budapest, 1121, Hungary. id.indudhiman@gmail.com.

Physical Chemistry Chemical Physics : PCCP

|November 18, 2022

Summary

This summary is machine-generated.

The odd-even effect in n-alkanes shows alternating properties with carbon number. Simulations reveal this trend, with heptane (n=7) showing unusual behavior, highlighting molecular shape and density

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Area of Science:

Physical Chemistry
Materials Science
Computational Chemistry

Background:

The odd-even effect describes the alternating properties of n-alkanes based on carbon number.
Understanding this effect is crucial for predicting material behavior.

Purpose of the Study:

To investigate the odd-even effect in n-alkanes using molecular dynamics simulations.
To examine the influence of carbon content on melting point, density, and molecular dynamics.

Main Methods:

Conducted molecular dynamics simulations for n-alkanes from propane (n=3) to octane (n=8).
Analyzed melting point, density, conformational ordering, translational, and rotational motion.

Main Results:

Observed odd-even alternation in melting point, density, and dynamics.
Identified anomalous behavior in heptane (n=7) for most properties except conformational ordering.
Confirmed odd-even behavior in rotational and translational dynamics below and above melting points.

Conclusions:

The odd-even effect in n-alkanes is influenced by molecular shape and density variations.
Molecular shape and density interplay is key to understanding the origins of the odd-even effect.