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| Name |
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) |
EINECS | 303-532-4 |
| CAS No. | 94200-54-1 | Density | 1.77g/cm3 |
| PSA | 76.57000 | LogP | 9.30700 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H6F29O4P | Boiling Point | 377.1 °C at 760 mmHg |
| Molecular Weight | 844.1438938 | Flash Point | 181.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
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; |
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) Specification
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
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