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52972-16-4

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Basic Information
CAS No.: 52972-16-4
Name: 2,2-dimethoxynonane
Article Data: 2
Molecular Structure:
Molecular Structure of 52972-16-4 (2,2-dimethoxynonane)
Formula: C11H24O2
Molecular Weight: 188.31
Synonyms: 2-Nonanonedimethyl acetal;2,2-Dimethoxynonane;Isononylaldehyde dimethyl acetal;
EINECS: 258-283-3
Density: 0.844 g/cm3
Boiling Point: 201.8 °C at 760 mmHg
Flash Point: 47.1 °C
PSA: 18.46000
LogP: 3.35590
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Specification

The Nonane, 2,2-dimethoxy-, with the CAS registry number 52972-16-4, is also known as Isononylaldehyde dimethyl acetal. Its EINECS number is 258-283-3. This chemical's molecular formula is C11H24O2 and molecular weight is 188.31. What's more, its systematic name is 2,2-dimethoxynonane.

Physical properties of Nonane, 2,2-dimethoxy- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/BCF (pH 5.5): 331.91; (5)ACD/KOC (pH 5.5): 2218.96; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 18.46 Å2; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 56.46 cm3; (12)Molar Volume: 222.8 cm3; (13)Polarizability: 22.38×10-24cm3; (14)Surface Tension: 26.1 dyne/cm; (15)Density: 0.844 g/cm3; (16)Flash Point: 47.1 °C; (17)Enthalpy of Vaporization: 42.02 kJ/mol; (18)Boiling Point: 201.8 °C at 760 mmHg; (19)Vapour Pressure: 0.429 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)(CCCCCCC)C
(2)InChI: InChI=1S/C11H24O2/c1-5-6-7-8-9-10-11(2,12-3)13-4/h5-10H2,1-4H3
(3)InChIKey: WGTYPPXGEJLTCK-UHFFFAOYSA-N