Propen

Propen
Skeletal formula of propene
	Propylene
	Propen
Identifikacija
CAS registarski broj	115-07-1
PubChem	8252
ChemSpider	7954
UN broj	1077
KEGG	C11505
ChEBI	16052
ChEMBL	CHEMBL117213
RTECS registarski broj toksičnosti	UC6740000
Jmol-3D slike	Slika 1
SMILES
	CC=C
InChI
	InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 ; Kod: QQONPFPTGQHPMA-UHFFFAOYSA-N InChI=1/C3H6/c1-3-2/h3H,1H2,2H3; Kod: QQONPFPTGQHPMA-UHFFFAOYAA
Svojstva
Molekulska formula	C3H6
Molarna masa	42.08 g mol−1
Agregatno stanje	Bezbojni gas
Gustina	1,81 kg/m3, gas (1,013 bar, 15 °C); 613,9 kg/m3, tečnost
Tačka topljenja	− 185.2 °C, 88 K, -301 °F
Tačka ključanja	− 47.6 °C, 226 K, -54 °F
Rastvorljivost u vodi	0,61 g/m3
Viskoznost	8,34 µPa·s na 16.7 °C
Struktura
Dipolni moment	0,366 D (gas)
Opasnost
Podaci o bezbednosti prilikom rukovanja (MSDS)	External MSDS
Opasnost u toku rada	Visoko zapaljiv
NFPA 704	4 1 1
R-oznake	12
S-oznake	9-16-33
Tačka paljenja	−108 °C
Srodna jedinjenja
Srodna groupe	Alil, Propenil
Srodna jedinjenja	Propan, Propin; Propadien, 1-Propanol; 2-Propanol
	(šta je ovo?) (verifikuj) ; Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala
	Infobox references

Propilen, takođe poznat pod en:IUPAC-ovim imenom kao propen, je organsko jedinjenje hemijske formule C₃H₆. To je drugo po jednostavnosti jedinjenje iz grupe alkena iz klase ugljovodonika, od kojih je etilen (eten) najjednostavniji. Pod normalnim uslovima propilen je gas bez boje i mirisa. (U komercijalni gas se dodaju tragovi merkaptana ili sličnih jedinjenja neprijatnog i prodornog mirisa da bi se gas, ako procuri lako osetio po mirisu. Propilen može da se dobije gasifikacijom uglja ali se uglavnom proizvodi krekovanjem sirove nafte. Propilen je jedna od najvažnijih sirovina u petrohemijskoj industriji. Najvažnija upotreba je kao monomera u proizvodnji polipropilena.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	0
Broj donora vodonika	0
Broj rotacionih veza	0
Particioni koeficijent^[6] (ALogP)	1,3
Rastvorljivost^[7] (logS, log(mol/L))	-0,3
Polarna površina^[8] (PSA, Å²)	0,0

Reference

↑ 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
↑ 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.
↑ 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
↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit
↑ 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.

Literatura

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.

Spoljašnje veze

Portal Hemija

[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] Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.

[5] Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948594. edit

[6] 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.

[7] 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.

[8] 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.

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