Heptanal-diethylacetal

The CAS register number of Heptanal-diethylacetal is 688-82-4. It also can be called as Heptane, 1,1-diethoxy- and the systematic name about this chemical is 1,1-diethoxyheptane. The molecular formula about this chemical is C₁₁H₂₄O₂ and the molecular weight is 188.31.

Physical properties about Heptanal-diethylacetal are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 3.8; (3)ACD/LogD (pH 7.4): 3.8; (4)ACD/BCF (pH 5.5): 456.27; (5)ACD/BCF (pH 7.4): 456.27; (6)ACD/KOC (pH 5.5): 2786.59; (7)ACD/KOC (pH 7.4): 2786.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.419; (12)Molar Refractivity: 56.45 cm³; (13)Molar Volume: 223.2 cm³; (14)Polarizability: 22.38x10^-24cm³; (15)Surface Tension: 26.5 dyne/cm; (16)Density: 0.843 g/cm³; (17)Flash Point: 50.4 °C; (18)Enthalpy of Vaporization: 42.49 kJ/mol; (19)Boiling Point: 206.7 °C at 760 mmHg; (20)Vapour Pressure: 0.336 mmHg at 25 °C.

Preparation: this chemical can be prepared by heptanal and ethanol. This reaction will need reagent of hydrochloric acid.

Uses of Heptanal-diethylacetal: it can be used to produce heptanal. This reaction will need reagent of tetraethylammonium iodide, BF₃*O(C₂H₅)₂ and solvent of CHCl₃. This reaction needs heating. The reaction time is 3 hours. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)CCCCCC
(2)InChI: InChI=1/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3
(3)InChIKey: UGOCNHASEZIJFQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C11H24O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h11H,4-10H2,1-3H3
(5)Std. InChIKey: UGOCNHASEZIJFQ-UHFFFAOYSA-N