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242142-82-1

Basic Information
CAS No.: 242142-82-1
Name: 1H,1H-PERFLUORO-1-OCTADECANOL
Molecular Structure:
Molecular Structure of 242142-82-1 (1H,1H-PERFLUORO-1-OCTADECANOL)
Formula: C18H3F35O
Molecular Weight: 900.16
Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Pentatriacontafluorooctadecan-1-ol;
Density: 1.749 g/cm3
Melting Point: 152-156 °C
Boiling Point: 318.2 °C at 760 mmHg
Flash Point: 146.2 °C
Hazard Symbols: IrritantXi
PSA: 20.23000
LogP: 10.70580
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Specification

The 1-Octadecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-, with the CAS registry number 242142-82-1, is also known as 1H,1H-Perfluorooctadecan-1-ol 95%. This chemical's molecular formula is C18H3F35O and molecular weight is 900.16. Its systematic name is called 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecan-1-ol. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1-Octadecanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-: (1)ACD/LogP: 14.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.4; (4)ACD/LogD (pH 7.4): 14.4; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Index of Refraction: 1.286; (13)Molar Refractivity: 92.12 cm3; (14)Molar Volume: 514.6 cm3; (15)Surface Tension: 15 dyne/cm; (16)Density: 1.749 g/cm3; (17)Flash Point: 146.2 °C; (18)Enthalpy of Vaporization: 64.88 kJ/mol; (19)Boiling Point: 318.2 °C at 760 mmHg; (20)Vapour Pressure: 3.04E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)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)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/C18H3F35O/c19-2(20,1-54)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h54H,1H2
(3)InChIKey: FRVXTIVSYJQTRB-UHFFFAOYAV