4,4,5,5,6,6,6-Heptafluorohexan-1-ol

The 4,4,5,5,6,6,6-Heptafluorohexan-1-ol, with the CAS registry number 679-02-7, is also known as 1-Hexanol, 4,4,5,5,6,6,6-heptafluoro-. Its molecular formula is C₆H₇F₇O and its molecular weight is 228.11.

Other characteristics of the 4,4,5,5,6,6,6-Heptafluorohexan-1-ol can be summarised as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.6; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 119.46; (8)ACD/KOC (pH 7.4): 119.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.32; (14)Molar Refractivity: 32.42 cm³; (15)Molar Volume: 163.3 cm³; (16)Polarizability: 12.85×10^-24cm³; (17)Surface Tension: 18.6 dyne/cm; (18)Density: 1.396 g/cm³; (19)Flash Point: 13 °C; (20)Enthalpy of Vaporization: 39.32 kJ/mol; (21)Boiling Point: 97.9 °C at 760 mmHg; (22)Vapour Pressure: 23.7 mmHg at 25°C.

Production method of the 4,4,5,5,6,6,6-Heptafluorohexan-1-ol: It could be obtained by the reactant of 4,4,5,5,6,6,6-heptafluorohexyl acetate. This reaction needs the reagent of aq NaOH. The yield is 91 %. In addition, this reaction should be taken for 3 hours by the heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:  
1.SMILES: FC(F)(C(F)(F)CCCO)C(F)(F)F
2.InChI: InChI=1/C6H7F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h14H,1-3H2
3.InChIKey: VACKBPFJJWRSAO-UHFFFAOYAG