PHOSPHORIC ACID DI-N-DECYL ESTER

The Phosphoric acid, didecyl ester, with the CAS registry number 7795-87-1, is also known as Didecylorthophosphate. Its EINECS number is 232-248-2. This chemical's molecular formula is C₂₀H₄₃O₄P and molecular weight is 378.53. What's more, its systematic name is didecyl hydrogen phosphate.

Physical properties of Phosphoric acid, didecyl ester are: (1)ACD/LogP: 8.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 808.7; (6)ACD/BCF (pH 7.4): 618.01; (7)ACD/KOC (pH 5.5): 459.13; (8)ACD/KOC (pH 7.4): 350.87; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 106.6 cm³; (15)Molar Volume: 393 cm³; (16)Polarizability: 42.26×10^-24cm³; (17)Surface Tension: 35 dyne/cm; (18)Density: 0.963 g/cm³; (19)Flash Point: 230.2 °C; (20)Enthalpy of Vaporization: 78.58 kJ/mol; (21)Boiling Point: 457 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-09 mmHg at 25°C.

Preparation of Phosphoric acid, didecyl ester: this chemical can be prepared by phosphoric acid didecyl ester 2-hydroxy-phenyl ester at the temperature of 20 °C. This reaction will need reagents iodobenzene diacetate, H₂O and solvent acetonitrile with the reaction time of 1 hour. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(OCCCCCCCCCC)OCCCCCCCCCC
(2)Std. InChI: InChI=1S/C20H43O4P/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,21,22)
(3)Std. InChIKey: QHAUASBJFFBWMY-UHFFFAOYSA-N