2-METHYLNONANOIC ACID

The Nonanoic acid,2-methyl- is an organic compound with the formula C₁₀H₂₀O₂. The IUPAC name of this chemical is 2-methylnonanoic acid. With the CAS registry number 24323-21-5, it is also named as 2-methylnonan-1-oic acid.

Physical properties about Nonanoic acid,2-methyl- are: (1)D/LogP: 3.78; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 1.23; (4)ACD/BCF (pH 5.5): 76.09; (5)ACD/BCF (pH 7.4): 1.23; (6)ACD/KOC (pH 5.5): 469.41; (7)ACD/KOC (pH 7.4): 7.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.441; (13)Molar Refractivity: 49.9 cm³; (14)Molar Volume: 188.6 cm³; (15)Polarizability: 19.78×10^-24cm³; (16)Surface Tension: 32.1 dyne/cm; (17)Density: 0.913 g/cm³; (18)Flash Point: 142.3 °C; (19)Enthalpy of Vaporization: 56.12 kJ/mol; (20)Boiling Point: 271.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00178 mmHg at 25°C.

Preparation of Nonanoic acid,2-methyl-: this chemical can be prepared by non-1-ene and carbon monoxide. This reaction will need reagent H₂O, catalyst PdCl₂ and solvent acetone. The reaction time is 6 hours with reaction temperature of 90 °C. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CCCCCCC)C
(2)InChI: InChI=1/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
(3)InChIKey: KUSYIGBGHPOWEL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
(5)Std. InChIKey: KUSYIGBGHPOWEL-UHFFFAOYSA-N