Dipropilen glikol

Identifikacija

CAS registarski broj

25265-71-8^Y

Jmol-3D slike

Slika 1

SMILES

CCC(O)OC(O)CC.CC(O)COCC(C)O

InChI

InChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-3-5(7)9-6(8)4-2/h2*5-8H,3-4H2,1-2H3^Y
Kod: ZWHXRCBKXVJADE-UHFFFAOYSA-N^Y

InChI=1/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-3-5(7)9-6(8)4-2/h2*5-8H,3-4H2,1-2H3

Svojstva

Molekulska formula

C₁₂H₂₈O₆

Molarna masa

268.35 g mol⁻¹

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

Infobox references

Dipropilen glikol je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 268,347 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	4
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	0,3
Rastvorljivost^[2] (logS, log(mol/L))	-2,1
Polarna površina^[3] (PSA, Å²)	99,4

↑ 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.
↑ 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.