The 1,4-Benzenedicarboxylic acid, dioctyl ester, with the CAS registry number 4654-26-6, is also known as Dioctyl terephthalate. Its EINECS registry number is 225-091-6. This chemical's molecular formula is C₂₄H₃₈O₄ and molecular weight is 390.56. What's more, its IUPAC name is called Dioctyl benzene-1,4-dicarboxylate.

Physical properties about 1,4-Benzenedicarboxylic acid, dioctyl ester are: (1)ACD/LogP: 9.506; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.51; (4)ACD/LogD (pH 7.4): 9.51; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 3535683.00; (8)ACD/KOC (pH 7.4): 3535683.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 114.659 cm³; (15)Molar Volume: 396.313 cm³; (16)Polarizability: 45.455×10^-24cm³; (17)Surface Tension: 36.476001739502 dyne/cm; (18)Density: 0.985 g/cm³; (19)Flash Point: 226.171 °C; (20)Enthalpy of Vaporization: 67.751 kJ/mol; (21)Boiling Point: 423.216 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCC)c1ccc(C(=O)OCCCCCCCC)cc1
(2) InChI: InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
(3) InChIKey: OEIWPNWSDYFMIL-UHFFFAOYSA-N

The toxicity data is as follows: