Cas no 68955-80-6 (1,2-Benzenedicarboxylicacid, C4-13-branched alkyl esters)
68955-80-6 structure
Product Name:1,2-Benzenedicarboxylicacid, C4-13-branched alkyl esters
CAS No:68955-80-6
MF:C16H22O4
MW:278.343485355377
CID:519581
Update Time:2024-01-30
1,2-Benzenedicarboxylicacid, C4-13-branched alkyl esters Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, C4-13-branched alkyl esters
- (C4-C13) Branched alkyl alcohols, phthalic anhydride ester
- C4-13-Branched alkyl phthalates
- Einecs 273-157-8
-
- Inchi： 1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
- InChI Key： MGWAVDBGNNKXQV-UHFFFAOYSA-N
- SMILES： C1(C(OCC(C)C)=O)=CC=CC=C1C(OCC(C)C)=O
Computed Properties
- Exact Mass: 278.151809
- Monoisotopic Mass: 278.151809
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 52.6
Experimental Properties
- Melting Point: -64 deg C
- Boiling Point: 296.5 deg C; 159 deg C at 4 mm Hg
1,2-Benzenedicarboxylicacid, C4-13-branched alkyl esters Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
68955-80-6 (1,2-Benzenedicarboxylicacid, C4-13-branched alkyl esters) Related Products
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