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17392-22-2

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Basic Information
CAS No.: 17392-22-2
Name: 5,8,10,13-Tetraoxaheptadecane
Article Data: 5
Molecular Structure:
Molecular Structure of 17392-22-2 (5,8,10,13-Tetraoxaheptadecane)
Formula: C13H28O4
Molecular Weight: 248.363
Synonyms: Bis(2-butoxyethoxy)methane;
EINECS: 241-419-0
Density: 0.924 g/cm3
Boiling Point: 298 °C at 760 mmHg
Flash Point: 52.7 °C
PSA: 36.92000
LogP: 2.61050
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Specification

The 5,8,10,13-Tetraoxaheptadecane, with the CAS registry number of 17392-22-2, is also known as Bis(2-butoxyethoxy)methane. Its EINECS registry number is 241-419-0. This chemical's molecular formula is C13H28O4 and molecular weight is 248.35902. What's more, its IUPAC name is 1-[2-(2-Butoxyethoxymethoxy)ethoxy]butane.

Physical properties about the 5,8,10,13-Tetraoxaheptadecane are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.68; (6)ACD/BCF (pH 7.4): 80.68; (7)ACD/KOC (pH 5.5): 806.27; (8)ACD/KOC (pH 7.4): 806.27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 69.25 cm3; (15)Molar Volume: 268.5 cm3; (16)Surface Tension: 29.8 dyne/cm; (17)Density: 0.924 g/cm3; (18)Flash Point: 52.7 °C; (19)Enthalpy of Vaporization: 51.64 kJ/mol; (20)Boiling Point: 298 °C at 760 mmHg; (21)Vapour Pressure: 0.00231 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(CCCC)CCOCOCCOCCCC
(2) InChI: InChI=1/C13H28O4/c1-3-5-7-14-9-11-16-13-17-12-10-15-8-6-4-2/h3-13H2,1-2H3
(3) InChIKey: MHKHVNAGXJGYIT-UHFFFAOYAI