DIISOOCTYLPHOSPHINIC ACID

The Phosphinic acid,bis(2,4,4-trimethylpentyl)-, with the CAS registry number 83411-71-6, is also known as Diisooctylphosphinic acid. Its EINECS registry number is 280-445-7. This chemical's molecular formula is C₁₆H₃₅O₂P and molecular weight is 290.42. What's more, both its IUPAC name and systematic name are the same which is called Bis(2,4,4-trimethylpentyl)phosphinic acid. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Phosphinic acid,bis(2,4,4-trimethylpentyl)- are: (1) ACD/LogP: 5.96; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.74; (4) ACD/LogD (pH 7.4): 2.55; (5) ACD/BCF (pH 5.5): 119.49; (6) ACD/BCF (pH 7.4): 7.71; (7) ACD/KOC (pH 5.5): 249.75; (8) ACD/KOC (pH 7.4): 16.12; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 36.11 Å²; (13) Index of Refraction: 1.448; (14) Molar Refractivity: 84.43 cm³; (15) Molar Volume: 315.1 cm³; (16) Surface Tension: 30.8 dyne/cm; (17) Density: 0.921 g/cm³; (18)Flash Point: 206.1 °C; (19) Enthalpy of Vaporization: 73.55 kJ/mol; (20) Boiling Point: 417.1 °C at 760 mmHg; (21) Vapour Pressure: 3.97E-08 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Therefore, you should avoid contacting with skin. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(CC(C)CC(C)(C)C)CC(CC(C)(C)C)C
(2) InChI: InChI=1/C16H35O2P/c1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,18)
(3) InChIKey: QUXFOKCUIZCKGS-UHFFFAOYAI