-
Name
1H-PERFLUOROOCTANE
- EINECS 206-395-8
- CAS No. 335-65-9
- Article Data36
- CAS DataBase
- Density 1.654 g/cm3
- Solubility
- Melting Point
- Formula C8HF17
- Boiling Point 123.5 °C at 760 mmHg
- Molecular Weight 420.069
- Flash Point 36.7 °C
- Transport Information
- Appearance
- Safety 26-37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane;1-Hydroperfluorooctane;1H-Perfluorooctane;
- PSA 0.00000
- LogP 5.62560
1H-Perfluorooctane Specification
The 1H-Perfluorooctane with the CAS number 335-65-9 is also called Octane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-. Both the systematic name and IUPAC name are 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane. Its EINECS registry number is 206-395-8. The molecular formula is C8HF17.
The properties of the chemical are: (1)ACD/LogP: 6.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.4; (4)ACD/LogD (pH 7.4): 6.4; (5)ACD/BCF (pH 5.5): 42736.58; (6)ACD/BCF (pH 7.4): 42736.58; (7)ACD/KOC (pH 5.5): 71830.59; (8)ACD/KOC (pH 7.4): 71830.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0Å2; (13)Index of Refraction: 1.26; (14)Molar Refractivity: 41.61 cm3; (15)Molar Volume: 253.9 cm3; (16)Polarizability: 16.49×10-24cm3; (17)Surface Tension: 12.2 dyne/cm; (18)Enthalpy of Vaporization: 34.65 kJ/mol; (19)Vapour Pressure: 16 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should 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)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
(2)InChI: InChI=1/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
(3)InChIKey: KBHBUUBXEQUIMV-UHFFFAOYAV
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