METHYL CYCLOBUTANECARBOXYLATE

The Cyclobutanecarboxylicacid, methyl ester is an organic compound with the formula C₆H₁₀O₂. With the CAS registry number 765-85-5, the IUPAC name of this chemical is methyl cyclobutanecarboxylate. Besides, it is clear colorless liquid, which should be stored in a closed cool and dry place.

Physical properties about Cyclobutanecarboxylicacid, methyl ester are: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): 1.11; (4)ACD/BCF (pH 5.5): 4.09; (5)ACD/BCF (pH 7.4): 4.09; (6)ACD/KOC (pH 5.5): 95.45; (7)ACD/KOC (pH 7.4): 95.45; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 29.39 cm³; (13)Molar Volume: 108.5 cm³; (14)Polarizability: 11.65×10^-24cm³; (15)Surface Tension: 35 dyne/cm; (16)Density: 1.051 g/cm³; (17)Flash Point: 30.1 °C; (18)Enthalpy of Vaporization: 37.13 kJ/mol; (19)Boiling Point: 138.7 °C at 760 mmHg; (20)Vapour Pressure: 6.64 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and cyclobutanecarboxylic acid. This reaction will need reagent H₂SO₄.

Uses of Cyclobutanecarboxylicacid, methyl ester: it can be used to produce 1-methyl-cyclobutanecarboxylic acid methyl ester at room temperature. It will need reagent n-BuLi, diisopropylamine and solvent hexane, tetrahydrofuran with reaction time of 8 hours. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1CCC1
(2)InChI: InChI=1/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3
(3)InChIKey: CBTGNLZUIZHUHY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3
(5)Std. InChIKey: CBTGNLZUIZHUHY-UHFFFAOYSA-N