3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl dihydrogen phosphate

The 1-Hexadecanol,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-,dihydrogen phosphate (9Cl), with the CAS registry number 94200-54-1 and EINECS registry number 303-532-4, has the systematic name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecyl dihydrogen phosphate. And the molecular formula of the chemical is C₁₆H₆F₂₉O₄P.

The characteristics of 1-Hexadecanol,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-,dihydrogen phosphate (9Cl) are as followings: (1)ACD/LogP: 10.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.56; (4)ACD/LogD (pH 7.4): 6.62; (5)ACD/BCF (pH 5.5): 52005.49; (6)ACD/BCF (pH 7.4): 6014.2; (7)ACD/KOC (pH 5.5): 9360.29; (8)ACD/KOC (pH 7.4): 1082.48; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 76.57 Å²; (13)Index of Refraction: 1.31; (14)Molar Refractivity: 92.13 cm³; (15)Molar Volume: 476.8 cm³; (16)Polarizability: 36.52×10^-24cm³; (17)Surface Tension: 19.4 dyne/cm; (18)Density: 1.77 g/cm³; (19)Flash Point: 181.9 °C; (20)nthalpy of Vaporization: 68.61 kJ/mol; (21)Boiling Point: 377.1 °C at 760 mmHg; (22)Vapour Pressure: 9.98E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C16H6F29O4P/c17-3(18,1-2-49-50(46,47)48)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1-2H2,(H2,46,47,48)
(3)InChIKey: QIZXNATWTHMMHR-UHFFFAOYAX