Octanoic Acid

• Catalog Number: ACM124072
• Product Name: Octanoic Acid
• CAS: 124-07-2
• Category: Fatty Acids and Ester Homologs
• Description: Octanoic acid appears as a colorless to light yellow liquid with a mild odor. Burns, but may be difficult to ignite. Corrosive to metals and tissue.;Liquid; OtherSolid, Liquid;Liquid;Liquid;Liquid;colourless, oily liquid/slight, unpleasant odour
• Synonyms: Caprylic Acid
• IUPAC Name: octanoic acid
• Molecular Weight: 144.21
• Molecular Formula: C8H16O2
• Canonical SMILES: CCCCCCCC(=O)O
• InChI: WWZKQHOCKIZLMA-UHFFFAOYSA-N
• InChI Key: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
• Boiling Point: 237 °C(lit.)
• Melting Point: 16 °C
• Flash Point: 130°C
• Density: 0.91g/ml
• Solubility: less than 1 mg/mL at 64° F (NTP, 1992);0.01 M;0.789 mg/mL at 30 °C;Very slightly sol in water (0.068 g/100 g at 20 °C); freely sol in alcohol, chloroform, ether, carbon disulfide, petroleum ether, glacial acetic acid;Miscible in ethanol, chloroform, acetonitrile;In water 789 mg/L at 30 °C;0.789 mg/mL;slightly soluble in water; soluble in most organic solvents
• Appearance: Light yellow characteristic liquid
• Storage: Room temperature
• Assay: 0.99
• CNo.Chain: C8:0
• Color/Form: SOLIDIFIES TO LEAFY CRYSTALS WHEN COLD;Colorless;Oily liquid
• Complexity: 89.3
• Compound Derivative: Acid
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 204-677-5;273-085-7;230-784-1
• Exact Mass: 144.11503g/mol
• Fatty Aci: Octanoic; (Caprylic)
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 10
• LogP: 3.05 (LogP);3.05;log Kow = 3.05;3.05
• Monoisotopic Mass: 144.11503g/mol
• NSC Number: 5024
• Odor: FAINT, FRUITY-ACID ODOR;UNPLEASANT AND IRRITATING ODOR;Slight odor
• Other Experimental: VP: 1 MM HG AT 78.0 °C;Heat of fusion = 21.4 kJ/mol; Specific heat = 2.62 J/g (solid);Henry's Law constant = 8.29X10-7 atm-cu mmol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.35X10-12 cu cm/molec-sec at 25 °C (est)
• Packaging: 1 ton
• Physical State: Liquid
• pKa: pKa 4.89 (25 °)
• Refractive Index: 1.4268-1.4288
• Rotatable Bond Count: 6
• Stability: Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable.
• UNII: OBL58JN025
• UN Number: 3265
• Vapor Pressure: 1 mm Hg at 198.1 °F ; 5 mm Hg at 237.4° F; 760 mm Hg at 459.5° F (NTP, 1992);0.00 mmHg;3.71X10-3 mm Hg at 25 °C
• Viscosity: 5.74 mPa.sec
• XLogP3: 3