Results 21 to 30 of about 166,305,928 (302)

Structure-property relationships in alkoxy substituted benzoates from experimental and computational thermochemistry

open access: yesChemical Thermodynamics and Thermal Analysis, 2023
The energetics of formation and the phase transitions for isomeric methyl and ethyl methoxy‑benzoates were studied. The vapour pressures of methyl 2‑methoxy-benzoate and methyl 4‑methoxy-benzoate were measured by transpiration method.
Sergey P. Verevkin   +2 more
doaj   +1 more source

Comprehensive Thermodynamic Study of Alkyl-Cyclohexanes as Liquid Organic Hydrogen Carriers Motifs

open access: yesHydrogen, 2023
Alkyl-cyclohexanes can be considered as suitable model compounds to understand the thermochemistry of aromatic compounds and their hydrogenated counterparts discussed as Liquid Organic Hydrogen Carrier systems.
Sergey P. Verevkin   +4 more
doaj   +1 more source

A Data Resource for Prediction of Gas-Phase Thermodynamic Properties of Small Molecules

open access: yesData, 2022
The thermodynamic properties of a substance are key to predicting its behavior in physical and chemical systems. Specifically, the enthalpy of formation and entropy of a substance can be used to predict whether reactions involving that substance will ...
William Bains   +3 more
doaj   +1 more source

Enthalpy of formation of phosphorus pentachloride; derivation of the enthalpy of formation of aqueous orthophosphoric acid

open access: yesJournal of Research of the National Bureau of Standards Section A: Physics and Chemistry, 1974
When chlorine (real gas, 980 mmHg) combines with white (α) phosphorus to form phosphorus pentachloride at 24.89 °C, 3986.3 ± 2.7 J of heat are liberated per gram of stoichiometrically equivalent Mg2P2O7. This value was determined by a dead-ended flow system in an electrically calibrated isoperibol calorimeter.
R H, Schumm, E J, Prosen, D D, Wagman
openaire   +2 more sources

Thermal transfer simulation regarding the rotational moulding of polyamide 11 [PDF]

open access: yes, 2013
Simulation of thermal phenomena in rotational moulding is very important to follow the evolution of the temperature in various zones of this process. It was a question of modelling heat gradients developing in rota-tional moulding part.
TCHARKHTCHI, Abbas   +2 more
core   +1 more source

Nearest-Neighbour and Non-Nearest-Neighbour Non-Covalent Interactions between Substituents in the Aromatic Systems: Experimental and Theoretical Investigation of Functionally Substituted Benzophenones

open access: yesMolecules, 2022
Benzophenone derivatives exhibit not only biological activity but also act as photo initiator and UV blocker. We carried out experimental and theoretical thermochemical studies of hydroxy- and methoxy-substituted benzophenones.
Artemiy A. Samarov   +2 more
doaj   +1 more source

A millifluidic calorimeter with InfraRed thermography for the measurement of chemical reaction enthalpy and kinetics [PDF]

open access: yes, 2008
The aim of this work is to present an infrared calorimeter for the measurement of the kinetics and the enthalpy of high exothermic chemical reactions. The main idea is to use a millifluidic chip where the channel acts as a chemical reactor.
PRADERE, Christophe   +3 more
core   +1 more source

ESTIMATION OF STANDARD ENTHALPY OF FORMATION OF ALKANES IN GASEOUS STATE BY CALCULATING SIZE, STRUCTURAL AND ELECTRONIC PARAMETERS IN THE MOLECULES

open access: yesEclética Química, 2018
A quantitative analysis is made on the correlation ship of thermodynamic property, i.e., standard enthalpy of formation (ΔH f0) with Kier’s molecular connectivity index(1Xv),vander waal’s volume (Vw) electrotopological state index (E) and ...
P. S. Verma   +2 more
doaj   +1 more source

Determination of the Gibbs Formation Energy of CuGaSe2 by EMF Method

open access: yesInternational Journal of Electrochemical Science, 2020
The thermodynamic stability of the chalcopyrite CuGaSe2 compound semiconductor was studied. A solid-state electrochemical cell was employed to obtain the standard Gibbs energy of formation of CuGaSe2.
Muhsin Ider
doaj   +1 more source

Estimation of Formation Enthalpy for Alkanes from 13C NMR Chemical Shifts

open access: yesChinese Journal of Magnetic Resonance, 2019
The quantitative relationship between the 13C NMR chemical shifts of alkanes and their formation enthalpy was studied. A new approach for calculating the formation enthalpy from the 13C NMR chemical shifts was proposed.
WU Ya-xin, CAO Chen-zhong, TENG Li-li
doaj   +1 more source

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