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| CAS No.: | 7416-57-1 |
|---|---|
| Name: | 10-METHYLDODECANOIC ACID |
| Molecular Structure: | |
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| Formula: | C13H26O2 |
| Molecular Weight: | 214.348 |
| Synonyms: | 10-Methyldodecanoic acid; |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 323.3 °C at 760 mmHg |
| Flash Point: | 176.7 °C |
| PSA: | 37.30000 |
| LogP: | 4.23790 |
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Specification
The Dodecanoic acid, 10-methyl-, with the CAS registry number 7416-57-1, is also known as 10-Methyl-dodecanoic acid. This chemical's molecular formula is C13H26O2 and molecular weight is 214.3443. What's more, its IUPAC name is 10-Methyldodecanoic acid.
Physical properties about Dodecanoic acid, 10-methyl- are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 1146.25; (6)ACD/BCF (pH 7.4): 18.39; (7)ACD/KOC (pH 5.5): 3200.15; (8)ACD/KOC (pH 7.4): 51.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 63.79 cm3; (15)Molar Volume: 238.1 cm3; (16)Polarizability: 25.29×10-24 cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.9 g/cm3; (19)Flash Point: 176.7 °C; (20)Enthalpy of Vaporization: 62.14 kJ/mol; (21)Boiling Point: 323.3 °C at 760 mmHg; (22)Vapour Pressure: 5.4E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCC(C)CC
(2) InChI: InChI=1/C13H26O2/c1-3-12(2)10-8-6-4-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
(3) InChIKey: YETWOCQNUTWSQA-UHFFFAOYAI