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| CAS No.: | 307-45-9 |
|---|---|
| Name: | PERFLUORODECANE |
| Molecular Structure: | |
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| Formula: | C10F22 |
| Molecular Weight: | 538.075 |
| Synonyms: | Decane,docosafluoro- (6CI,7CI,8CI,9CI);Docosafluorodecane;Perfluorodecane; |
| Density: | 1.713 g/cm3 |
| Melting Point: | 36 °C |
| Boiling Point: | 152.3 °C at 760 mmHg |
| Flash Point: | 55.5 °C |
| PSA: | 0.00000 |
| LogP: | 7.19340 |
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Specification
The Perfluorodecane, with the CAS registry number 307-45-9, is also known as Docosafluorodecane. This chemical's molecular formula is C10F22 and molecular weight is 538.07. Its IUPAC name is called 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane.
Physical properties of Perfluorodecane: (1)ACD/LogP: 9.21; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.21; (4)ACD/LogD (pH 7.4): 9.21; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2438917; (8)ACD/KOC (pH 7.4): 2438917; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.261; (11)Molar Refractivity: 51.63 cm3; (12)Molar Volume: 313.9 cm3; (13)Surface Tension: 12.4 dyne/cm; (14)Density: 1.713 g/cm3; (15)Melting Point: 36 °C; (16)Flash Point: 55.5 °C; (17)Enthalpy of Vaporization: 37.31 kJ/mol; (18)Boiling Point: 152.3 °C at 760 mmHg; (19)Vapour Pressure: 4.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
(3)InChIKey: BPHQIXJDBIHMLT-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | > 15gm/kg (15000mg/kg) | Microvascular Research. Vol. 8, Pg. 320, 1974. |