Cas no 103212-65-3 (Tridecanoic acid, 2-undecyl-)
Tridecanoic acid, 2-undecyl- structure
Product Name:Tridecanoic acid, 2-undecyl-
CAS No:103212-65-3
MF:C24H48O2
MW:368.636728286743
CID:5601974
PubChem ID:53919182
Update Time:2024-03-01
Tridecanoic acid, 2-undecyl- Chemical and Physical Properties
Names and Identifiers
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- Tridecanoic acid, 2-undecyl-
- 2-Undecyltridecanoic acid
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- Inchi： 1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23(24(25)26)22-20-18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
- InChI Key： IJFOZNKRFQDSCI-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(CCCCCCCCCCC)CCCCCCCCCCC
Computed Properties
- Exact Mass: 368.365430770g/mol
- Monoisotopic Mass: 368.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 26
- Rotatable Bond Count: 21
- Complexity: 266
- 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: 10.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.878±0.06 g/cm3(Predicted)
- Melting Point: 61 °C(Solv: acetone (67-64-1))
- Boiling Point: 247-250 °C(Press: 0.9 Torr)
- pka: 4.80±0.40(Predicted)
Tridecanoic acid, 2-undecyl- Related Literature
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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