-
Name
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane
- EINECS 216-862-8
- CAS No. 1682-31-1
- Density 1.9g/cm3
- Solubility
- Melting Point
- Formula C7H4F11I
- Boiling Point 170.5 °C at 760 mmHg
- Molecular Weight 423.996
- Flash Point 69.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane
- PSA 0.00000
- LogP 4.91500
Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo- Specification
The Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-, with CAS registry number 1682-31-1, has the systematic name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodoheptane. And the chemical formula of this chemical is C7H4F11I. What's more, its EINECS is 216-862-8.
Physical properties of Heptane,1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10921.49; (6)ACD/BCF (pH 7.4): 10921.49; (7)ACD/KOC (pH 5.5): 27051.5; (8)ACD/KOC (pH 7.4): 27051.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.358; (14)Molar Refractivity: 49.07 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 19.45×10-24cm3; (17)Surface Tension: 18.8 dyne/cm; (18)Density: 1.9 g/cm3; (19)Flash Point: 69.6 °C; (20)Enthalpy of Vaporization: 39.02 kJ/mol; (21)Boiling Point: 170.5 °C at 760 mmHg; (22)Vapour Pressure: 1.94 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)CCI)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C7H4F11I/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2H2
(3)InChIKey: KEHJVWWDDAAVHB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4F11I/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2H2
(5)Std. InChIKey: KEHJVWWDDAAVHB-UHFFFAOYSA-N
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