Diethyl pimelate

The Heptanedioic acid,1,7-diethyl ester, with the CAS registry number 2050-20-6 and EINECS registry number 218-083-9, has the systematic name and IUPAC name of diethyl heptanedioate. It is a kind of clear colorless liquid, and belongs to the product category of Linear hydrocarbon series. And the molecular formula of the chemical is C₁₁H₂₀O₄. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Heptanedioic acid,1,7-diethyl ester 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: 50.56 kJ/mol; (21)Boiling Point: 267.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0081 mmHg at 25°C.

Preparation of Heptanedioic acid,1,7-diethyl ester: This chemical can be prepared by ethanol and heptanedioic acid. The reaction will need reagent P₂O₅, CuSO₄ and Na₂SO₄. The reaction time is 2 hours with heating, and the yield is about 61%. 

Uses of Heptanedioic acid,1,7-diethyl ester: It can react with chloro-trimethyl-silane to produce 1,2-Bis-(trimethylsiloxy)-cyclohepten-(1). This reaction will need reagent Na, and the menstruum toluene. The reaction time is 18 hours with heating, and the yield is about 79%.   

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