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38514-05-5

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Basic Information
CAS No.: 38514-05-5
Name: 6-Methyl-1-octanol
Article Data: 4
Molecular Structure:
Molecular Structure of 38514-05-5 (6-Methyl-1-octanol)
Formula: C9H20O
Molecular Weight: 144.257
Synonyms: 6-METHYL-1-OCTANOL;6-methyloctan-1-ol
EINECS: 253-977-2
Density: 0.824 g/cm3
Melting Point: 6.15°C (estimate)
Boiling Point: 196.6 °C at 760 mmHg
Flash Point: 79.5 °C
PSA: 20.23000
LogP: 2.58520
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Specification

The 6-Methyl-1-octanol is an organic compound with the formula C9H20O. The IUPAC name of this chemical is 6-Methyl-1-octanol. With the CAS registry number 38514-05-5, it is also named as 1-octanol, 6-methyl-.

Physical properties about 6-Methyl-1-octanol are: (1)ACD/LogP: 3.35; (2)ACD/LogD (pH 5.5): 3.35; (3)ACD/LogD (pH 7.4): 3.35; (4)ACD/BCF (pH 5.5): 206.29; (5)ACD/BCF (pH 7.4): 206.29; (6)ACD/KOC (pH 5.5): 1578.75; (7)ACD/KOC (pH 7.4): 1578.75; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 45.23 cm3; (14)Molar Volume: 174.9 cm3; (15)Polarizability: 17.93×10-24cm3; (16)Surface Tension: 28.5 dyne/cm; (17)Density: 0.824 g/cm3; (18)Flash Point: 79.5 °C; (19)Enthalpy of Vaporization: 50.36 kJ/mol; (20)Boiling Point: 196.6 °C at 760 mmHg; (21)Vapour Pressure: 0.102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCC(CC)C
(2)InChI: InChI=1/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
(3)InChIKey: WWRGKAMABZHMCN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
(5)Std. InChIKey: WWRGKAMABZHMCN-UHFFFAOYSA-N