Pentil butirat
Izgled
Pentil butirat | |||
---|---|---|---|
Identifikacija | |||
CAS registarski broj | 540-18-1 | ||
Jmol-3D slike | Slika 1 | ||
| |||
| |||
Svojstva | |||
Molekulska formula | C9H18O2 | ||
Molarna masa | 158.24 g mol−1 | ||
| |||
Infobox references |
Pentil butirat je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 158,238 Da.
Osobina | Vrednost |
---|---|
Broj akceptora vodonika | 2 |
Broj donora vodonika | 0 |
Broj rotacionih veza | 7 |
Particioni koeficijent[1] (ALogP) | 2,9 |
Rastvorljivost[2] (logS, log(mol/L)) | -2,4 |
Polarna površina[3] (PSA, Å2) | 26,3 |
- ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.
- ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
- ↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.
- Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.
- Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7.
- Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.