Basic information
- Name:
Hexane,1-(2,2-diethoxyethoxy)-
- CAS No.:
18266-50-7
- Molecular Structure:
- Formula:
- C12H26O3
- Molecular Weight:
- 218.3330
- Synonyms:
- Acetaldehyde,(hexyloxy)-, diethyl acetal(8CI);Ethane, 1,1-diethoxy-2-(hexyloxy)- (8CI);(Hexyloxy)acetaldehyde diethyl acetal;2,2-Diethoxyethyl(hexyl) ether;
- Density:
- 0.887 g/cm3
- Boiling Point:
- 261.9 °C at 760 mmHg
- Flash Point:
- 95.9 °C
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Specification
The Hexane,1-(2,2-diethoxyethoxy)-, with the CAS registry number 18266-50-7, is also known as 2,2-Diethoxyethyl(hexyl) ether. Its EINECS registry number is 242-143-3. This chemical's molecular formula is C12H26O3 and molecular weight is 218.3330. What's more, its systematic name is 1-(2,2-Diethoxyethoxy)hexane.
Physical properties about Hexane,1-(2,2-diethoxyethoxy)- are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 222.35; (6)ACD/BCF (pH 7.4): 222.35; (7)ACD/KOC (pH 5.5): 1665.79; (8)ACD/KOC (pH 7.4): 1665.79; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 62.83 cm3; (15)Molar Volume: 246 cm3; (16)Polarizability: 24.91×10-24 cm3; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.887 g/cm3; (19)Flash Point: 95.9 °C; (20)Enthalpy of Vaporization: 47.95 kJ/mol; (21)Boiling Point: 261.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0183 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(OCC)OCC)CCCCCC
(2)InChI: InChI=1/C12H26O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h12H,4-11H2,1-3H3
(3)InChIKey: JZUZJJCWIKMTAO-UHFFFAOYAH