19629-78-8

The Benzenehexadecanoicacid, with the CAS registry number 19629-78-8, is also known as Hexadecanoicacid, 16-phenyl- (6CI,8CI). This chemical's molecular formula is C₂₂H₃₆O₂ and molecular weight is 332.52. What's more, its systematic name is called 16-Phenylhexadecanoic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about Benzenehexadecanoicacid are: (1) ACD/LogP: 8.55; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 7.75; (4) ACD/LogD (pH 7.4): 5.95; (5) ACD/BCF (pH 5.5): 293829.13; (6) ACD/BCF (pH 7.4): 4713.75; (7) ACD/KOC (pH 5.5): 169575.63; (8) ACD/KOC (pH 7.4): 2720.42; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 16; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.499; (14) Molar Refractivity: 102.22 cm³; (15) Molar Volume: 347.9 cm³; (16) Surface Tension: 37.7 dyne/cm; (17) Density: 0.955 g/cm³; (18)Flash Point: 364 °C; (19) Enthalpy of Vaporization: 76.85 kJ/mol; (20) Boiling Point: 467.4 °C at 760 mmHg; (21) Vapour Pressure: 1.54E-09 mmHg at 25 °C ; (22) Melting Point: 75-77 °C.

Preparation of Benzenehexadecanoicacid: this chemical can be prepared by 6-[5-(5-Benzyl-thiophen-2-ylmethyl)-thiophen-2-yl]-hexanoic acid. This reaction needs reagent Ra-Ni and solvent Ethanol and other condition of heating. The yield is 54 %

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCCCCCCCCc1ccccc1
(2) InChI: InChI=1/C22H36O2/c23-22(24)20-16-11-9-7-5-3-1-2-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,1-11,13,16-17,20H2,(H,23,24)
(3) InChIKey: MFCNMXMQLKDGPQ-UHFFFAOYAT