Cas no 76386-13-5 (Butanedioic acid,2-(1-tetradecen-1-yl)-)
76386-13-5 structure
Product Name:Butanedioic acid,2-(1-tetradecen-1-yl)-
CAS No:76386-13-5
MF:C18H32O4
MW:312.444286346436
CID:568444
PubChem ID:6365756
Update Time:2025-04-19
Butanedioic acid,2-(1-tetradecen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-(1-tetradecen-1-yl)-
- tetradec-1-enylsuccinic acid
- 76386-13-5
- 1-Tetradecenylsuccinic acid
- SCHEMBL69590
- tetradecenyl succinic acid
- EINECS 278-433-1
-
- Inchi： 1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20/h13-14,16H,2-12,15H2,1H3,(H,19,20)(H,21,22)/b14-13+
- InChI Key： PFBBCIYIKJWDIN-BUHFOSPRSA-N
- SMILES： OC(C(CC(=O)O)/C=C/CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 312.23006
- Monoisotopic Mass: 312.23006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 6.1
Experimental Properties
- Density: 1.011
- Boiling Point: 434.1°C at 760 mmHg
- Flash Point: 230.5°C
- Refractive Index: 1.485
Butanedioic acid,2-(1-tetradecen-1-yl)- Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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