Phenol, 4-nonyl-,phosphite (3:1) (3050-88-2)

The Tris(4-nonylphenyl) phosphite, with the CAS registry number 3050-88-2, is also known as 4-Nonyl-phenol phosphite and Phenol,4-nonyl-,phosphite. Its EINECS registry number is 247-759-6. This chemical's molecular formula is C₄₅H₆₉O₃P and molecular weight is 689.00. What's more, both its IUPAC name and systematic name are the same which is called Tris(4-nonylphenyl) phosphite.

Physical properties about the Tris(4-nonylphenyl) phosphite are: (1) ACD/LogP: 21.56; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 21.56; (4) ACD/LogD (pH 7.4): 21.56; (5) ACD/BCF (pH 5.5): 1000000; (6) ACD/BCF (pH 7.4): 1000000; (7) ACD/KOC (pH 5.5): 10000000; (8) ACD/KOC (pH 7.4): 10000000; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 30; (12) Polar Surface Area: 41.28 Å²; (13) Flash Point: 467 °C; (14) Enthalpy of Vaporization: 97.17 kJ/mol; (15) Boiling Point: 687.5 °C at 760 mmHg; (16) Vapour Pressure: 5.68E-18 mmHg at 25 °C; (17) Density: 0.99 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O(P(Oc1ccc(cc1)CCCCCCCCC)Oc2ccc(cc2)CCCCCCCCC)c3ccc(cc3)CCCCCCCCC
(2) InChI: InChI=1/C45H69O3P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46-49(47-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)48-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3
(3) InChIKey: MGMXGCZJYUCMGY-UHFFFAOYAM