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40589-14-8

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Basic Information
CAS No.: 40589-14-8
Name: 2-METHYL-1-NONANOL
Article Data: 9
Molecular Structure:
Molecular Structure of 40589-14-8 (2-METHYL-1-NONANOL)
Formula: C10H22O
Molecular Weight: 158.284
Synonyms: 2-Methyl-1-nonanol;2-Methylnonanol;
EINECS: 254-986-4
Density: 0.826 g/cm3
Melting Point: -1.53°C (estimate)
Boiling Point: 213.4 °C at 760 mmHg
Flash Point: 87.1 °C
PSA: 20.23000
LogP: 2.97530
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Specification

The 1-Nonanol, 2-methyl- is an organic compound with the formula C10H22O. The IUPAC name of this chemical is 2-methylnonan-1-ol. With the CAS registry number 40589-14-8, it is also named as nonan-1-ol, 2-methyl-.

Physical properties about 1-Nonanol, 2-methyl- are: (1)ACD/LogP: 3.88; (2)ACD/LogD (pH 5.5): 3.88; (3)ACD/LogD (pH 7.4): 3.88; (4)ACD/BCF (pH 5.5): 522.77; (5)ACD/BCF (pH 7.4): 522.77; (6)ACD/KOC (pH 5.5): 3071.62; (7)ACD/KOC (pH 7.4): 3071.62; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 49.87 cm3; (14)Molar Volume: 191.4 cm3; (15)Polarizability: 19.77×10-24cm3; (16)Surface Tension: 28.9 dyne/cm; (17)Density: 0.826 g/cm3; (18)Flash Point: 87.1 °C; (19)Enthalpy of Vaporization: 52.3 kJ/mol; (20)Boiling Point: 213.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0365 mmHg at 25°C.

Preparation: this chemical can be prepared by nonan-1-ol and methanol. This reaction will need reagent sodium, catalyst Raney-nickel. The reaction time is 6 hours with reaction temperature of 200 °C. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCC)C
(2)InChI: InChI=1/C10H22O/c1-3-4-5-6-7-8-10(2)9-11/h10-11H,3-9H2,1-2H3
(3)InChIKey: BEGNRPGEHZBNKK-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H22O/c1-3-4-5-6-7-8-10(2)9-11/h10-11H,3-9H2,1-2H3
(5)Std. InChIKey: BEGNRPGEHZBNKK-UHFFFAOYSA-N