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Basic Information
CAS No.: 24323-25-9
Name: 2-METHYLUNDECANOIC ACID
Molecular Structure:
Molecular Structure of 24323-25-9 (2-METHYLUNDECANOIC ACID)
Formula: C12H24O2
Molecular Weight: 200.321
Synonyms: 2-Methylundecanoicacid;
EINECS: 246-164-9
Density: 0.903 g/cm3
Melting Point: 13 °C
Boiling Point: 306.6 °C at 760 mmHg
Flash Point: 165.7 °C
PSA: 37.30000
LogP: 3.84780
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Specification

The cas register number of 2-Methylundecanoic acid is 24323-25-9. It also can be called as Undecanoic acid,2-methyl- and the IUPAC Name about this chemical is 2-methylundecanoic acid.

Physical properties about 2-Methylundecanoic acid are: (1)ACD/LogP: 4.84; (2)ACD/LogD (pH 5.5): 4.09; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 494.01; (5)ACD/BCF (pH 7.4): 8.01; (6)ACD/KOC (pH 5.5): 1796.37; (7)ACD/KOC (pH 7.4): 29.12; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 59.16 cm3; (14)Molar Volume: 221.6 cm3; (15)Polarizability: 23.45x10-24cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Enthalpy of Vaporization: 60.17 kJ/mol; (18)Boiling Point: 306.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000174 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-undecanoic acid methyl ester. This reaction will need reagent potassium hydroxide and solvent ethanol, H2O. The reaction time is 16 hour(s) at heating. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CCCCCCCCC)C
(2)InChI: InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
(3)InChIKey: PFFITEZSYJIHHR-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
(5)Std. InChIKey: PFFITEZSYJIHHR-UHFFFAOYSA-N