| DUBLIN | CORE | METADATA ITEM | METADATA FOR THIS DOCUMENT |
| 1 | Title | Title of Document | Thermodynamic Properties of 3-Methyl-4H-Pyrazole and its Corresponding Radicals |
| 2 | Creator | Author's name, affiliation, country | JAT RAKESH KUMAR* and SHARMA SUNIL
Institute of Pharmaceutical Science, Shri JJT University Vidyanagari, Churu Jhunjhunu Road Chudela, District-Jhunjhunu, Rajasthan-333001, India |
| 3 | Subject | Dicipline(s) | Chemical Science |
| 3 | Subject | Keywords | Internal rotor analysis, 3-Methyl-4H-pyrazole, Guassian, MOPAC |
| 4 | Description | Abstract | Thermodynamic calculations have been performed on 3-methyl-4H-pyrazole to obtain insight of its thermochemical properties like its bond energies, enthalpy of formation, entropy and heat capacities. By using different computational methods some of the properties have been studied. Heat of formation was calculated by using MOPAC and Gaussians program. All calculation has been done to study these properties at a range of temperature (298 K-1500 K).Gas phase ΔHf values found in this study are the following (in kcal/mol): for parent molecule (yccdnndc-CH3) is 54.47, for yccdnndc-ch2j 91.13, for yccjdnnc-CH3 112.84 and 89.7 for ycjcdnnc-CH3 . |
| 5 | Publishers | Organizing agency, location | WWW Publications, India |
| 6 | Contributor | Sponsor(s) | - |
| 7 | Date | Date (YYYY-MM-DD) | - |
| 8 | Type | Status & genre | Peer-reviewed Article |
| 8 | Type | Type | |
| 9 | Formate | File Formate | PDF |
| 10 | Identifier | Uniform Resource Identifier | Click Here |
| 10 | Identifier | Digital Object Identifier | |
| 11 | Source | Journal/conference title; vol., no. (Year) | Chemical Science Transactions, Volume 5 , Number (3), (2016) |
| 12 | Lanuguage | English=en | en |
| 13 | Relation | Supp.files | |
| 14 | Coverage | | - |
| 15 | Copyright | Copyright and permissions | |
