Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester

Base Information

• Chemical Name: Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester
• CAS No.: 72828-80-9
• Molecular Formula: C13H18F8O2
• Molecular Weight: 358.27
• DSSTox Substance ID: DTXSID20880962
• Wikidata: Q81986938
• Mol file: 72828-80-9.mol

Synonyms:Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester;72828-80-9;2,2,3,3,4,4,5,5-octafluorooctyl pentanoate;DTXSID20880962;C13H18F8O2;C13-H18-F8-O2

Chemical Property of Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Boiling Point: 259.6°C at 760 mmHg
• Flash Point: 107.6°C
• PSA: 26.30000
• Density: 1.233g/cm³
• LogP: 5.06110
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 358.11790511
• Heavy Atom Count: 23
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC(C(C(C(CCC)(F)F)(F)F)(F)F)(F)F