Dimethyl suberate

The Dimethyl suberate, with the cas registry number 1732-09-8 and EINECS registry number 217-059-5, has the systematic name and IUPAC name of dimethyl octanedioate. It is a kind of clear colorless to slightly yellow liquid, and belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₀H₁₈O₄. While dealing with this chemical, you should be cautious not to breathe dust and avoid to contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 12.03; (6)ACD/BCF (pH 7.4): 12.03; (7)ACD/KOC (pH 5.5): 206.45; (8)ACD/KOC (pH 7.4): 206.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 51.92 cm³; (15)Molar Volume: 200.5 cm³; (16)Polarizability: 20.58×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.008 g/cm³; (19)Flash Point: 111.4 °C; (20)Enthalpy of Vaporization: 50.61 kJ/mol; (21)Boiling Point: 268 °C at 760 mmHg; (22)Vapour Pressure: 0.00789 mmHg at 25°C.

Preparation of Dimethyl suberate: This chemical can be prepared by methanol and (Z)-cyclooctene. The reaction will need reagent NaOH and O₃, and the menstruum CH₂Cl₂. The reaction temperature -78°C, and the yield is about 75%. 

Uses of Dimethyl suberate: It can be used to produce octanedioic acid monomethyl ester. This reaction will need reagent KOH, and the menstruum methanol. The reaction time is 4 hours with temperature of 20°C,and the yield is about 34%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)CCCCCCC(=O)OC
(2)InChI: InChI=1/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
(3)InChIKey: LNLCRJXCNQABMV-UHFFFAOYAS