Specification: |
This chemical is called 2-Tetradecyloxybenzaldehyde, and it can also be named as benzaldehyde, 2-(tetradecyloxy)-. With the molecular formula of C21H34O2, its molecular weight is 318.49. In addition, the CAS registry number of this chemical is 24083-20-3.
Other characteristics of the 2-Tetradecyloxybenzaldehyde can be summarised as followings: (1)ACD/LogP: 8.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.62; (4)ACD/LogD (pH 7.4): 8.62; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1169086.88; (8)ACD/KOC (pH 7.4): 1169086.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 99.91 cm3; (15)Molar Volume: 339.6 cm3; (16)Polarizability: 39.6×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.937 g/cm3; (19)Flash Point: 159.9 °C; (20)Enthalpy of Vaporization: 68.66 kJ/mol; (21)Boiling Point: 431 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1OCCCCCCCCCCCCCC
(2)InChI: InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-21-17-14-13-16-20(21)19-22/h13-14,16-17,19H,2-12,15,18H2,1H3
(3)InChIKey:ZEBFXYUKUUUHHI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-21-17-14-13-16-20(21)19-22/h13-14,16-17,19H,2-12,15,18H2,1H3
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