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CAS No.: | 423-65-4 |
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Name: | 1H,1H-PERFLUORO-1-DODECANOL |
Molecular Structure: | |
Formula: | C12H3F23O |
Molecular Weight: | 600.11 |
Synonyms: | 1H,1H-Perfluoro-1-dodecanol;1H,1H-Perfluorododecanol;1,1-Dihydroperfluorododecylalcohol;1H,1H-Perfluorododecan-1-ol 96%;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecan-1-ol; |
EINECS: | -0 |
Density: | 1.714 g/cm3 |
Melting Point: | 111-113°C |
Boiling Point: | 228.3 °C at 760 mmHg |
Flash Point: | 91.9 °C |
Hazard Symbols: | F,Xi |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 6.89400 |
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The 1-Dodecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro-, with the CAS registry number 423-65-4, is also known as 1H,1H-Perfluorododecanol. This chemical's molecular formula is C12H3F23O and molecular weight is 600.11. What's more, its systematic name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol. When using it, you should avoid contact with skin and eyes.
Physical properties of 1-Dodecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro- are: (1)ACD/LogP: 9.07; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.07; (4)ACD/LogD (pH 7.4): 9.07; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2034380.13; (8)ACD/KOC (pH 7.4): 2034373.38; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.285; (14)Molar Refractivity: 62.56 cm3; (15)Molar Volume: 349.9 cm3; (16)Polarizability: 24.8×10-24 cm3; (17)Surface Tension: 15.2 dyne/cm; (18)Density: 1.714 g/cm3; (19)Flash Point: 91.9 °C; (20)Enthalpy of Vaporization: 54.05 kJ/mol; (21)Boiling Point: 228.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0144 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(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)C(F)(F)CO
(2)InChI: InChI=1/C12H3F23O/c13-2(14,1-36)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h36H,1H2
(3)InChIKey: SHTZQFTXUMCALC-UHFFFAOYAW