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51933-13-2

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Basic Information
CAS No.: 51933-13-2
Name: 2-Butanone, 3,3-diethoxy-
Article Data: 18
Molecular Structure:
Molecular Structure of 51933-13-2 (2-Butanone, 3,3-diethoxy-)
Formula: C8H16O3
Molecular Weight: 160.213
Synonyms: 3, 3-Diethoxybutan-2-one;
Density: 0.94 g/cm3
Boiling Point: 211.921 °C at 760 mmHg;
Flash Point: 72.204 °C
PSA: 35.53000
LogP: 1.36460
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Specification

The 2-Butanone, 3, 3-diethoxy- has CAS registry number 51933-13-2. This chemical's molecular formula is C8H16O3 and molecular weight is 160.2108. What's more, its systematic name is 3, 3-Diethoxybutan-2-one.

Physical properties about 2-Butanone, 3, 3-diethoxy- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 157; (8)ACD/KOC (pH 7.4): 157; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.414; (14)Molar Refractivity: 42.598 cm3; (15)Molar Volume: 170.482 cm3; (16)Polarizability: 16.887×10-24 cm3; (17)Surface Tension: 27.366 dyne/cm; (18)Density: 0.94 g/cm3; (19)Flash Point: 72.204 °C; (20)Enthalpy of Vaporization: 44.822 kJ/mol; (21)Boiling Point: 211.921 °C at 760 mmHg; (22)Vapour Pressure: 0.178 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C(OCC)(OCC)C)C
(2) InChI: InChI=1/C8H16O3/c1-5-10-8(4,7(3)9)11-6-2/h5-6H2,1-4H3
(3) InChIKey: PMZTXJBJUNAPSO-UHFFFAOYAO