Dimethyl azelate

The Dimethyl azelate, with the cas registry number 1732-10-1 and EINECS registry number 217-060-0, has the systematic name and IUPAC name of dimethyl nonanedioate. It belongs to the following product categories: Fatty Acid Esters (Plasticizer); Functional Materials; Plasticizer. And the molecular formula of the chemical is C₁₁H₂₀O₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.48; (6)ACD/BCF (pH 7.4): 30.48; (7)ACD/KOC (pH 5.5): 401.66; (8)ACD/KOC (pH 7.4): 401.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 56.56 cm³; (15)Molar Volume: 217 cm³; (16)Polarizability: 22.42×10^-24cm³; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.996 g/cm³; (19)Flash Point: 117.4 °C; (20)Enthalpy of Vaporization: 51.45 kJ/mol; (21)Boiling Point: 276 °C at 760 mmHg; (22)Vapour Pressure: 0.00491 mmHg at 25°C.

Preparation of Dimethyl azelate: This chemical can be prepared by methanol and nonanedioic acid. The reaction will need reagent H₂SO₄. The reaction time is 2 hours with heating, and the yield is about 46.6%. 

Uses of Dimethyl azelate: It can produce nonanedioic acid monomethyl ester. This reaction will need reagent Ba(OH)₂, and the menstruum methanol. The reaction time is 20 hours with temperature of 20°C, and the yield is about 24.3%.   

When you are using this chemical, please be cautious about it as the following: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Avoid contact with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)CCCCCCCC(=O)OC
(2)InChI: InChI=1/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
(3)InChIKey: DRUKNYVQGHETPO-UHFFFAOYAM