4-Cyanophenyl octanoate

Base Information

• Chemical Name: 4-Cyanophenyl octanoate
• CAS No.: 93777-17-4
• Molecular Formula: C15H19 N O2
• Molecular Weight: 245.31686
• European Community (EC) Number: 298-046-1
• DSSTox Substance ID: DTXSID30239609
• Nikkaji Number: J348.668K
• Wikidata: Q83121999
• Mol file: 93777-17-4.mol

Synonyms:4-Cyanophenyl octanoate;93777-17-4;EINECS 298-046-1;Octanoic acid, 4-cyanophenyl ester;DTXSID30239609;Octanoic acid 4-cyanophenyl ester

Chemical Property of 4-Cyanophenyl octanoate

Chemical Property:

• Vapor Pressure: 1.34E-05mmHg at 25°C
• Boiling Point: 367.7°C at 760 mmHg
• Flash Point: 176.8°C
• PSA: 50.09000
• Density: 1.04g/cm³
• LogP: 3.82418
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 245.141578849
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC1=CC=C(C=C1)C#N