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Related Concept Videos

Structure and Nomenclature of Alcohols and Phenols02:23

Structure and Nomenclature of Alcohols and Phenols

Overview
Alcohols are one of the most important functional groups in organic chemistry. The name of alcohol comes from the hydrocarbon from which it is derived. Alcohols are organic molecules containing the functional hydroxyl or –OH group directly bonded to carbon. Phenols have an OH group directly attached to a benzene ring. While alcohols are colorless, phenol is a white crystalline compound with a characteristic "hospital smell" odor.
As with other organic compounds, alcohols and phenols...
Organic Compounds03:02

Organic Compounds

All living things are formed mostly of carbon compounds called organic compounds. The category of organic compounds includes both natural and synthetic compounds that contain carbon. Although a single, precise definition has yet to be identified by the chemistry community, most agree that a defining trait of organic molecules is the presence of carbon as the principal element, bonded to hydrogen and other carbon atoms. However, some carbon-containing compounds such as carbonates, cyanides, and...
Physical Properties of Alcohols and Phenols02:32

Physical Properties of Alcohols and Phenols

Alcohols are organic compounds in which a hydroxy group is attached to a saturated carbon. Phenols are a class of alcohols containing a hydroxy group attached to an aromatic ring. The physical properties of the alcohols and phenols are influenced by hydrogen bonding due to the oxygen–hydrogen dipole in the hydroxy functional group and dispersion forces between alkyl or aryl regions of alcohol and phenol molecules.
Alcohols possess a higher boiling point than aliphatic hydrocarbons of similar...
Preparation of Alcohols via Substitution Reactions01:38

Preparation of Alcohols via Substitution Reactions

Overview
Alcohols can be synthesized from alkyl halides via nucleophilic substitution reactions. The highly polar carbon-halogen bond in the substrate makes halide a good leaving group. The hydroxide ion or water can act as a nucleophile to take the place of halide and form an alcohol. The substitution reactions occur via two different reaction pathways, SN1 or SN2, depending on the nature of carbon attached to the halide.
Primary alcohols are synthesized from primary alkyl halides, and the...
Conversion of Alcohols to Alkyl Halides02:48

Conversion of Alcohols to Alkyl Halides

This lesson delves into the conversion of alcohols to corresponding alkyl halides and the mechanism of action for different reagents. Typically, the hydroxyl group is first protonated to convert it to a stable leaving group. Consequently, based on the starting alcohol, the mechanism undergoes either of the nucleophilic substitution routes, SN1 or SN2. Tertiary alkyl halides are made using the two-step SN1 mechanism that occurs via a carbocation intermediate, which is stabilized by...
Acidity and Basicity of Alcohols and Phenols02:36

Acidity and Basicity of Alcohols and Phenols

Like water, alcohols are weak acids and bases. This is attributed to the polarization of the O–H bond making the hydrogen partially positive. Moreover, the electron pairs on the oxygen atom of alcohol make it both basic and nucleophilic. Protonation of an alcohol converts hydroxide, a poor leaving group, into water—a good one. The two acid–base equilibria corresponding to ethanol are depicted below.

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Related Experiment Video

Updated: Jun 13, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
10:35

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals

Published on: May 29, 2018

Structure of liquid linear alcohols.

J Lehtola1, M Hakala, K Hämäläinen

  • 1Department of Physics, P.O. Box 64, FI-00014 University of Helsinki, Finland. jussi.lehtola@helsinki.fi

The Journal of Physical Chemistry. B
|April 27, 2010
PubMed
Summary
This summary is machine-generated.

Molecular dynamics simulations reveal liquid alcohols form hydrogen-bonded chains. Bond length constraints impact diffusion and hydrogen bonding, suggesting experimental validation via inelastic X-ray scattering.

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Last Updated: Jun 13, 2026

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Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Understanding the liquid phase properties of linear alcohols is crucial for various chemical applications.
  • Molecular dynamics simulations are a powerful tool for investigating molecular behavior.
  • Previous studies have explored alcohol properties, but the impact of simulation constraints requires further clarification.

Purpose of the Study:

  • To investigate the influence of bond length constraints on the simulation of linear alcohols.
  • To analyze the effects on density, self-diffusion, and hydrogen-bonding characteristics.
  • To elucidate the structural organization of molecules in liquid alcohols.

Main Methods:

  • Molecular dynamics simulations were employed to model linear alcohols in the liquid phase.
  • The study systematically varied the use of bond length constraints.
  • Key properties analyzed included density, self-diffusion constants, and hydrogen-bonding networks.

Main Results:

  • Simulation densities were accurately reproduced across different constraint conditions.
  • Bond length constraints significantly affected self-diffusion constants and hydrogen-bonding properties.
  • Liquid alcohol structures were found to be composed of well-converged, chain-type hydrogen-bonded networks.

Conclusions:

  • The use of gas-phase reference values for OH bond length constraints can influence simulation outcomes.
  • Liquid alcohols predominantly exhibit chain-like hydrogen-bonded structures.
  • Inelastic X-ray scattering techniques at synchrotron sources offer a viable experimental method for validating these findings.