Boronic acid, B-pentyl- (4737-50-2)

The Pentylboronic acid, with the CAS registry number 4737-50-2, is also called 1-Pentaneboronic acid. The molecular formula of the chemical is C₅H₁₃BO₂. And it belongs to the following product categories: Alkyl; Boronic acid; Organoborons.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 18.46 Å²; (7)Index of Refraction: 1.409; (8)Molar Refractivity: 31.71 cm³; (9)Molar Volume: 128 cm³; (10)Polarizability: 12.57×10^-24cm³; (11)Surface Tension: 30.7 dyne/cm; (12)Density: 0.905 g/cm³; (13)Flash Point: 79.5 °C; (14)Enthalpy of Vaporization: 51.66 kJ/mol; (15)Boiling Point: 207.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0513 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: InChI=1/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
(2)InChI: InChI=1/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
(3)InChIKey: ABWPXVJNCQKYDR-UHFFFAOYAX