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24317-95-1

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Basic Information
CAS No.: 24317-95-1
Name: Ethyl 2-acetyldecanoate
Article Data: 20
Molecular Structure:
Molecular Structure of 24317-95-1 (Ethyl 2-acetyldecanoate)
Formula: C14H26O3
Molecular Weight: 242.359
Synonyms: Capricacid, a-acetyl-, ethyl ester (4CI);Ethyl 2-octylacetoacetate;
EINECS: 246-158-6
Density: 0.929 g/cm3
Boiling Point: 279.8 °C at 760 mmHg
Flash Point: 113.5 °C
PSA: 43.37000
LogP: 3.50530
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Specification

The Ethyl 2-acetyldecanoate with its cas register number is 24317-95-1. It also can be called as Decanoic acid,2-acetyl-, ethyl ester and the Systematic name about this chemical is  ethyl 2-acetyldecanoate.

Physical properties about Ethyl 2-acetyldecanoate are: (1)ACD/LogP: 4.78; (2)ACD/LogD (pH 5.5): 4.78; (3)ACD/LogD (pH 7.4): 4.78; (4)ACD/BCF (pH 5.5): 2541.15; (5)ACD/BCF (pH 7.4): 2541.05; (6)ACD/KOC (pH 5.5): 9526.12; (7)ACD/KOC (pH 7.4): 9525.76; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 68.67 cm3; (13)Molar Volume: 260.6 cm3; (14)Polarizability: 27.22x10-24cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Enthalpy of Vaporization: 51.85 kJ/mol; (17)Vapour Pressure: 0.00393 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(C(=O)OCC)CCCCCCCC)C
(2)InChI: InChI=1/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3
(3)InChIkey: APTZVOCKCUIHMY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3
(5)Std. InChIKey: APTZVOCKCUIHMY-UHFFFAOYSA-N