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CAS No.: | 22348-96-5 |
---|---|
Name: | methyl 3-oxodecanoate |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C11H20O3 |
Molecular Weight: | 200.278 |
Synonyms: | Methyl3-oxodecanoate; |
EINECS: | 244-928-6 |
Density: | 0.95 g/cm3 |
Boiling Point: | 245.8 °C at 760 mmHg |
Flash Point: | 98.5 °C |
Appearance: | colorless to slight yellow liquid |
PSA: | 43.37000 |
LogP: | 2.47910 |
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The Methyl 3-oxodecanoate with its cas register number is 22348-96-5. It also can be called as Decanoic acid, 3-oxo-,methyl ester and the IUPAC Name about this chemical is methyl 3-oxodecanoate. It belongs to the following product categories, such as Mixed Fatty Acids, Fatty Acid Derivatives & Lipids, Glycerols and so on.
Physical properties about Methyl 3-oxodecanoate are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.37; (3)ACD/LogD (pH 7.4): 3.37; (4)ACD/BCF (pH 5.5): 215.45; (5)ACD/BCF (pH 7.4): 215.35; (6)ACD/KOC (pH 5.5): 1628.63; (7)ACD/KOC (pH 7.4): 1627.8; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 54.81 cm3; (13)Molar Volume: 210.7 cm3; (14)Polarizability: 21.73x10-24cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Enthalpy of Vaporization: 48.29 kJ/mol; (17)Vapour Pressure: 0.0282 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC(=O)CC(=O)OC
(2)InChI: InChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h3-9H2,1-2H3
(3)InChIKey: QOQWSGSXXQSUOD-UHFFFAOYSA-N