Cas no 64318-24-7 (1,3-Benzenedicarboxylic acid, dioctadecyl ester)
64318-24-7 structure
Product Name:1,3-Benzenedicarboxylic acid, dioctadecyl ester
CAS No:64318-24-7
MF:C44H78O4
MW:671.087734699249
CID:1676606
PubChem ID:22491854
Update Time:2025-04-21
1,3-Benzenedicarboxylic acid, dioctadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, dioctadecyl ester
- dioctadecyl benzene-1,3-dicarboxylate
- DTXSID20626140
- SCHEMBL111221
- 64318-24-7
-
- Inchi： 1S/C44H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-47-43(45)41-36-35-37-42(40-41)44(46)48-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39H2,1-2H3
- InChI Key： CWGYFAJBWIOPJN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)C(=O)OCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 670.59034
- Monoisotopic Mass: 670.59001097g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 48
- Rotatable Bond Count: 38
- Complexity: 635
- 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: 19.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Benzenedicarboxylic acid, dioctadecyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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