Benzeneacetic acid,4-pentyl- (14377-21-0)

The CAS register number of 4-Pentylphenyl acetic acid is 14377-21-0. It also can be called as Benzeneacetic acid,4-pentyl- and the systematic name about this chemical is (4-pentylphenyl)acetic acid. The molecular formula about this chemical is C₁₃H₁₈O₂ and molecular weight is 206.28.

Physical properties about 4-Pentylphenyl acetic acid are: (1)ACD/LogP: 4.09; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 53.44; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 282.74; (7)ACD/KOC (pH 7.4): 4.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 26.3Ų; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 60.81 cm³; (14)Molar Volume: 199.2 cm³; (15)Polarizability: 24.1x10^-24cm³; (16)Surface Tension: 40.1 dyne/cm; (17)Enthalpy of Vaporization: 60.85 kJ/mol; (18)Boiling Point: 333.6 °C at 760 mmHg; (19)Vapour Pressure: 5.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccc(cc1)CCCCC
(2)InChI: InChI=1/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
(3)InChIKey: YAAVVJAWWNQMCY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H18O2/c1-2-3-4-5-11-6-8-12(9-7-11)10-13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
(5)Std. InChIKey: YAAVVJAWWNQMCY-UHFFFAOYSA-N