Acrylonitrile is a key industrial compound with numerous uses. Despite its importance, its enthalpy of formation is still contentious. There is a 12 kJ mol-1 range of values reported for the gas phase quantity: 173-185 kJ mol-1. Quantum chemical calculations, using current methodologies and defining reactions, suggest values between 185 and 191 kJ mol-1: the recommended value, an average, is 188 ± 7 kJ mol-1. © 2010 Springer Science+Business Media, LLC.The support of the Spanish Ministerio de Ciencia e Innovación under Project CTQ2007-60895/BQU is gratefully acknowledged
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Acrylic acid is a key industrial compound with numerous uses. Despite its importance, its enthalpy o...
Using a variety of density functional, post-Hartree-Fock and composite methods, in conjunction with ...
The work is focused on the obtaining thermochemical properties of the linear polynitramines to predi...
The energies of combustion and fusion of 5-cyano-5H-dibenzo[a,d]cycloheptene (1) and (5E,11E)-dibenz...
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur-208 016, India E-mail : sska...
Published on Web 07/22/1998The propagation rate coefficients for methacrylonitrile (MAN) and acrylon...
The gas-phase enthalpies of formation (Δ<sub>f</sub><i>H</i><sub>298</sub><sup>o</sup>) of 57 alipha...
© 2015 Elsevier Ltd. All rights reserved. Accurate standard molar enthalpy of formation values in th...
The results of a study aimed at improvement of group-contribution methodology for estimation of ther...
In part I of this thesis, the kinetics of the photoinitiated polymerisation of acrylonitrile, in bul...
This paper reports the values of the standard (p∘ = 0.1 MPa) molar enthalpy of formation in the gas ...
For the first time, the propagation rate coefficient kp of acrylonitrile has been determined in a br...
A solid understanding of and a reliable model for the formation pathways of polycyclic aromatic (nit...
Article on enthalpies of vaporization of organic and organometallic compounds, 1880-2002
The investigation of reaction mechanisms in the interstellar medium requires the evaluation of react...
Acrylic acid is a key industrial compound with numerous uses. Despite its importance, its enthalpy o...
Using a variety of density functional, post-Hartree-Fock and composite methods, in conjunction with ...
The work is focused on the obtaining thermochemical properties of the linear polynitramines to predi...
The energies of combustion and fusion of 5-cyano-5H-dibenzo[a,d]cycloheptene (1) and (5E,11E)-dibenz...
Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur-208 016, India E-mail : sska...
Published on Web 07/22/1998The propagation rate coefficients for methacrylonitrile (MAN) and acrylon...
The gas-phase enthalpies of formation (Δ<sub>f</sub><i>H</i><sub>298</sub><sup>o</sup>) of 57 alipha...
© 2015 Elsevier Ltd. All rights reserved. Accurate standard molar enthalpy of formation values in th...
The results of a study aimed at improvement of group-contribution methodology for estimation of ther...
In part I of this thesis, the kinetics of the photoinitiated polymerisation of acrylonitrile, in bul...
This paper reports the values of the standard (p∘ = 0.1 MPa) molar enthalpy of formation in the gas ...
For the first time, the propagation rate coefficient kp of acrylonitrile has been determined in a br...
A solid understanding of and a reliable model for the formation pathways of polycyclic aromatic (nit...
Article on enthalpies of vaporization of organic and organometallic compounds, 1880-2002
The investigation of reaction mechanisms in the interstellar medium requires the evaluation of react...