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25990-94-7

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Basic Information
CAS No.: 25990-94-7
Name: 2,5,8,11,14,17,20,23,26-Nonaoxaheptacosane
Article Data: 4
Molecular Structure:
Molecular Structure of 25990-94-7 (2,5,8,11,14,17,20,23,26-Nonaoxaheptacosane)
Formula: C18H38O9
Molecular Weight: 398.494
Synonyms: Glyme-9;Octaethylene glycol, dimethyl ether;1-methoxy-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;
EINECS: 247-396-3
Density: 1.04 g/cm3
Boiling Point: 439.5 °C at 760 mmHg
Flash Point: 166.3 °C
PSA: 83.07000
LogP: 0.39540
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Specification

The 2,5,8,11,14,17,20,23,26-Nonaoxaheptacosane, with the CAS registry number 25990-94-7, is also known as Octaethylene glycol, dimethyl ether. Its EINECS number is 247-396-3. This chemical's molecular formula is C18H38O9 and molecular weight is 398.49. What's more, its IUPAC name is 1-methoxy-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane.

Physical properties of 2,5,8,11,14,17,20,23,26-Nonaoxaheptacosane are: (1)ACD/LogP: -2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.95; (4)ACD/LogD (pH 7.4): -2.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 83.07 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 101.14 cm3; (15)Molar Volume: 382.9 cm3; (16)Polarizability: 40.09×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 166.3 °C ; (20)Enthalpy of Vaporization: 66.97 kJ/mol; (21)Boiling Point: 439.5 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOC
(2)InChI: InChI=1S/C18H38O9/c1-19-3-5-21-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22-6-4-20-2/h3-18H2,1-2H3
(3)InChIKey: HKKZPBCWTDFVFB-UHFFFAOYSA-N