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Diacetilen

Izvor: Wikipedija
Diacetilen
Identifikacija
CAS registarski broj460-12-8 DaY
PubChem[1][2]9997
ChemSpider[3]9603 DaY
ChEBI37820
Jmol-3D slikeSlika 1

C#CC#C

InChI=1S/C4H2/c1-3-4-2/h1-2H DaY
Kod: LLCSWKVOHICRDD-UHFFFAOYSA-N DaY

InChI=1/C4H2/c1-3-4-2/h1-2H

Svojstva
Molekulska formulaC4H2
Molarna masa50.06 g mol−1



Ukoliko nije drugačije napomenuto, podaci se odnose nastandardno stanje (25 °C, 100 kPa) materijala

Infobox references

Diacetilen jeorgansko jedinjenje, koje sadrži 4atomaugljenika i imamolekulsku masu od 50,059Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika0
Broj donora vodonika0
Broj rotacionih veza0
Particioni koeficijent[4] (ALogP)2,6
Rastvorljivost[5] (logS, log(mol/L))0,7
Polarna površina[6] (PSA,Å2)0,0

Reference

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  1. ↑Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. ↑Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. ↑Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. ↑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. 
  5. ↑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. 
  6. ↑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. 

Literatura

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Vanjske veze

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