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CAS No.: | 10522-26-6 |
---|---|
Name: | 2-METHYL-1-UNDECANOL |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C12H26O |
Molecular Weight: | 186.338 |
Synonyms: | 2-Methyl-1-undecanol; |
EINECS: | 234-067-4 |
Density: | 0.829 g/cm3 |
Melting Point: | 16.85°C (estimate) |
Boiling Point: | 245.5 °C at 760 mmHg |
Flash Point: | 100.1 °C |
PSA: | 20.23000 |
LogP: | 3.75550 |
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The 1-Undecanol, 2-methyl- is an organic compound with the formula C12H26O. The IUPAC name of this chemical is 2-methylundecan-1-ol. With the CAS registry number 10522-26-6, it is also named as 2-Methyl-1-undecanol.
Physical properties about 1-Undecanol, 2-methyl- are: (1)ACD/LogP: 4.94; (2)ACD/LogD (pH 5.5): 4.94; (3)ACD/LogD (pH 7.4): 4.94; (4)ACD/BCF (pH 5.5): 3357.07; (5)ACD/BCF (pH 7.4): 3357.07; (6)ACD/KOC (pH 5.5): 11627.25; (7)ACD/KOC (pH 7.4): 11627.25; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 59.13 cm3; (14)Molar Volume: 224.4 cm3; (15)Polarizability: 23.44×10-24cm3; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 0.829 g/cm3; (18)Flash Point: 100.1 °C; (19)Enthalpy of Vaporization: 56.07 kJ/mol; (20)Boiling Point: 245.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00476 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCCCC)C
(2)InChI: InChI=1/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3
(3)InChIKey: FGZXHVORLPLICA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3
(5)Std. InChIKey: FGZXHVORLPLICA-UHFFFAOYSA-N