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331818-83-8

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Basic Information
CAS No.: 331818-83-8
Name: 2-(3-Iodopropyl)-5,5-dimethyl-1,3-dioxane
Molecular Structure:
Molecular Structure of 331818-83-8 (2-(3-Iodopropyl)-5,5-dimethyl-1,3-dioxane)
Formula: C9H17IO2
Molecular Weight: 284.13
Synonyms: 2-(3-Iodopropyl)-5,5-dimethyl-1,3-dioxane
Density: 1.421 g/cm3
Boiling Point: 278 °C at 760 mmHg
Flash Point: 121.9 °C
PSA: 18.46000
LogP: 2.60070
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Specification

The 2-(3-Iodopropyl)-5,5-dimethyl-1,3-dioxane is an organic compound with the formula C9H17IO2. With the CAS registry number 331818-83-8, the systematic name of this chemical is 1,3-dioxane, 2-(3-iodopropyl)-5,5-dimethyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 54.59; (5)ACD/BCF (pH 7.4): 54.59; (6)ACD/KOC (pH 5.5): 609.61; (7)ACD/KOC (pH 7.4): 609.61; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 57.9 cm3; (13)Molar Volume: 199.8 cm3; (14)Polarizability: 22.95×10-24cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.421 g/cm3; (17)Flash Point: 121.9 °C; (18)Enthalpy of Vaporization: 49.58 kJ/mol; (19)Boiling Point: 278 °C at 760 mmHg; (20)Vapour Pressure: 0.00739 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(COC(OC1)CCCI)C
(2)InChI: InChI=1/C9H17IO2/c1-9(2)6-11-8(12-7-9)4-3-5-10/h8H,3-7H2,1-2H3
(3)InChIKey: BYRUDXTUKOCUCQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H17IO2/c1-9(2)6-11-8(12-7-9)4-3-5-10/h8H,3-7H2,1-2H3
(5)Std. InChIKey: BYRUDXTUKOCUCQ-UHFFFAOYSA-N