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66563-68-6

Basic Information
CAS No.: 66563-68-6
Name: 1H-Perfluorododecane
Molecular Structure:
Molecular Structure of 66563-68-6 (1H-Perfluorododecane)
Formula: C12HF25
Molecular Weight: 620.10
Synonyms: 1H-Pentacosafluorododecane;
Density: 1.704 g/cm3
Boiling Point: 205 °C at 760 mmHg
Flash Point: 81.7 °C
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Specification

The cas register number of 1H-Perfluorododecane is 66563-68-6. It also can be called as 1H-Pentacosafluorododecane and the Systematic name about this chemical is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorododecane.

Physical properties about 1H-Perfluorododecane are: (1)ACD/LogP: 9.95; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.95; (4)ACD/LogD (pH 7.4): 9.95; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6183101.5; (8)ACD/KOC (pH 7.4): 6183101.5; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.268; (11)Molar Refractivity: 61.31 cm3; (12)Molar Volume: 363.7 cm3; (13)Polarizability: 24.3x10-24cm3; (14)Surface Tension: 13 dyne/cm; (15)Enthalpy of Vaporization: 42.32 kJ/mol; (16)Vapour Pressure: 0.367 mmHg at 25°C.

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)C(F)(F)C(F)(F)C(F)(F)C(F)F
(2)InChI: InChI=1/C12HF25/c13-1(14)2(15,16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)37/h1H
(3)InChIKey: PLYVHXBRPARTON-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12HF25/c13-1(14)2(15,16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)37/h1H
(5)Std. InChIKey: PLYVHXBRPARTON-UHFFFAOYSA-N