Benzoic acid,4-methyl-, 4-cyanophenyl ester (32792-42-0)

The 4-Cyanophenyl 4'-methylbenzoate, with the CAS registry number 32792-42-0, is also called p-Toluylic acid, 4-cyanophenyl ester. The molecular formula of the chemical is C₁₅H₁₁NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 482.67; (6)ACD/BCF (pH 7.4): 482.67; (7)ACD/KOC (pH 5.5): 2901.09; (8)ACD/KOC (pH 7.4): 2901.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 67.13 cm³; (15)Molar Volume: 195.7 cm³; (16)Polarizability: 26.61×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 201.5 °C; (20)Enthalpy of Vaporization: 66.37 kJ/mol; (21)Boiling Point: 411.3 °C at 760 mmHg; (22)Vapour Pressure: 5.66E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1ccc(C#N)cc1)c2ccc(cc2)C
(2)InChI: InChI=1/C15H11NO2/c1-11-2-6-13(7-3-11)15(17)18-14-8-4-12(10-16)5-9-14/h2-9H,1H3
(3)InChIKey: QIAWNOODTBZTGG-UHFFFAOYAN