Cas no 66719-12-8 (Benzene, ditridecyl(tridecylphenoxy)-)
66719-12-8 structure
Product Name:Benzene, ditridecyl(tridecylphenoxy)-
CAS No:66719-12-8
MF:C51H88O
MW:717.243836402893
CID:388342
PubChem ID:71369109
Update Time:2025-04-19
Benzene, ditridecyl(tridecylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, ditridecyl(tridecylphenoxy)-
- 1,2-di(tridecyl)-3-(2-tridecylphenoxy)benzene
- 1,2-DITRIDECYL-3-(2-TRIDECYLPHENOXY)BENZENE
- 66719-12-8
- DTXSID70792147
-
- Inchi： 1S/C51H88O/c1-4-7-10-13-16-19-22-25-28-31-34-40-47-43-39-46-51(49(47)44-36-33-30-27-24-21-18-15-12-9-6-3)52-50-45-38-37-42-48(50)41-35-32-29-26-23-20-17-14-11-8-5-2/h37-39,42-43,45-46H,4-36,40-41,44H2,1-3H3
- InChI Key： JGEPJXSMWNSGPW-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1CCCCCCCCCCCCC)C1=CC=CC(=C1CCCCCCCCCCCCC)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 716.68351743g/mol
- Monoisotopic Mass: 716.68351743g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 52
- Rotatable Bond Count: 38
- Complexity: 701
- 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: 23.7
- Topological Polar Surface Area: 9.2?2
Benzene, ditridecyl(tridecylphenoxy)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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