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2-Nonyl-1,3-dioxolane

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Name

2-Nonyl-1,3-dioxolane

EINECS 224-422-1
CAS No. 4353-06-4 Density 0.894 g/cm3
Solubility Melting Point
Formula C12H24O2 Boiling Point 247.7 °C at 760 mmHg
Molecular Weight 200.32 Flash Point 95.9 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 4353-06-4 (2-Nonyl-1,3-dioxolane) Hazard Symbols
Synonyms

1,3-Dioxolane,2-nonyl-;

 

2-Nonyl-1,3-dioxolane Specification

The 2-Nonyl-1, 3-dioxolane, with the CAS registry number of 4353-06-4, is also known as 1, 3-Dioxolane, 2-nonyl-. Its EINECS registry number is 224-422-1. This chemical's molecular formula is C12H24O2 and molecular weight is 200.32. What's more, its IUPAC name is called 2-Nonyl-1, 3-dioxolane.

Physical properties about 2-Nonyl-1, 3-dioxolane are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 666.14; (6)ACD/BCF (pH 7.4): 666.14; (7)ACD/KOC (pH 5.5): 3653.51; (8)ACD/KOC (pH 7.4): 3653.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 58.8 cm3; (15)Molar Volume: 223.9 cm3; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 0.894 g/cm3; (18)Flash Point: 95.9 °C; (19)Enthalpy of Vaporization: 46.53 kJ/mol; (20)Boiling Point: 247.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0397 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1CCOC1CCCCCCCCC
(2) InChI: InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h12H,2-11H2,1H3
(3) InChIKey: QPILHXCDZYWYLQ-UHFFFAOYAE

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