| Value |
9
KJ/mole
|
| Organism |
Generic |
| Reference |
van der Spoel D, van Maaren PJ, Larsson P, Tîmneanu N. Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media. J Phys Chem B. 2006 Mar 9 110(9):4393-8. p.4396 table 2 & left column top paragraphPubMed ID16509740
|
| Method |
Abstract:"The thermodynamics of hydrogen bond breaking and formation was studied in solutions of alcohol (methanol, ethanol, 1-propanol) molecules. An extensive series of over 400 molecular dynamics simulations with an aggregate length of over 900 ns was analyzed using an analysis technique in which hydrogen bond (HB) breaking is interpreted as an Eyring process, for which the Gibbs energy of activation ?G can be determined from the HB lifetime." |
| Comments |
"Carey and Korenowski [http://dx.doi.org/10.1063/1.475659] find ?H for pure water to be 10.6±0.5 kJ/mol (this work, 9.0±0.05 kJ/mol)." |
| Entered by |
Uri M |
| ID |
103914 |