2-Ethyl-3-methylbutanoic acid

The IUPAC name of this product is 2-Ethyl-3-methylbutanoic acid, and its CAS registry number is 32444-32-9. It is also named as 2-Ethyl-3-methyl-butyric acid. The molecular formula of this chemical is C₇H₁₄O₂ and its molecular weight is 130.18.

Physical properties about 2-Ethyl-3-methylbutanoic acid are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 35.961 cm³; (15)Molar Volume: 139.462 cm³; (16)Polarizability: 14.256×10^-24 cm³; (17)Surface Tension: 30.303 dyne/cm; (18)Density: 0.933 g/cm³; (19)Flash Point: 94.503 °C; (20)Enthalpy of Vaporization: 49.282 kJ/mol; (21)Boiling Point: 210.93 °C at 760 mmHg; (22)Vapour Pressure: 0.074 mmHg at 25 °C.

Preparation of 2-Ethyl-3-methylbutanoic acid: this chemical is prepared by reaction of Iodoethane with 3-Methyl-butyric acid via the Lithium dianion. The yield is about 95 %.

Uses of 2-Ethyl-3-methylbutanoic acid: it is used to produce other chemicals. For example, it is used to produce 2-Ethyl-3-methyl-butyryl chloride. This reaction needs reagent SOCl₂. The yield is about 79 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(CC)C(C)C
(2) InChI: InChI=1/C7H14O2/c1-4-6(5(2)3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
(3) InChIKey: XJCPTWKSNPIJRN-UHFFFAOYAW