This chemical is called Benzenedecanoic acid, and its systematic name is 10-Phenyldecanoic acid. With the molecular formula of C16H24O2, its molecular weight is 248.36. The CAS registry number of this chemical is 18017-73-7.
Other characteristics of the Benzenedecanoic acid can be summarised as followings: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.56; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 1108.64; (6)ACD/BCF (pH 7.4): 17.78; (7)ACD/KOC (pH 5.5): 3123.84; (8)ACD/KOC (pH 7.4): 50.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 74.42 cm3; (15)Molar Volume: 248.9 cm3; (16)Polarizability: 29.5×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 0.997 g/cm3; (19)Flash Point: 285.1 °C; (20)Enthalpy of Vaporization: 67.24 kJ/mol; (21)Boiling Point: 388.3 °C at 760 mmHg; (22)Vapour Pressure: 1E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCCCCCCCCc1ccccc1
2.InChI: InChI=1/C16H24O2/c17-16(18)14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2,(H,17,18)
3.InChIKey: IISIYJPTBDSIFM-UHFFFAOYAZ
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