ETHYL PERFLUOROHEPTANOATE

The Heptanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl ester, with the CAS registry number 41430-70-0, is also known as 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid ethyl ester. Its EINECS number is 255-362-4. This chemical's molecular formula is C₉H₅F₁₃O₂ and molecular weight is 392.11. What's more, its systematic name is ethyl tridecafluoroheptanoate. It should be sealed and stored in cool and dry places.

Physical properties of Heptanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-, ethyl ester are: (1)ACD/LogP: 6.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.49; (4)ACD/LogD (pH 7.4): 6.49; (5)ACD/BCF (pH 5.5): 50674.52; (6)ACD/BCF (pH 7.4): 50674.52; (7)ACD/KOC (pH 5.5): 81146.59; (8)ACD/KOC (pH 7.4): 81146.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.302; (14)Molar Refractivity: 47.44 cm³; (15)Molar Volume: 251.6 cm³; (16)Polarizability: 18.8×10^-24 cm³; (17)Surface Tension: 16.7 dyne/cm; (18)Density: 1.557 g/cm³; (19)Flash Point: 47.2 °C; (20)Enthalpy of Vaporization: 39.23 kJ/mol; (21)Boiling Point: 155.6 °C at 760 mmHg; (22)Vapour Pressure: 3.01 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(C(=O)OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
(3)InChIKey: ZESCSNXJAROIJS-UHFFFAOYAD