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87247-19-6

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Basic Information
CAS No.: 87247-19-6
Name: (2S)-6-Methylheptan-2-ol
Article Data: 6
Molecular Structure:
Molecular Structure of 87247-19-6 ((2S)-6-Methylheptan-2-ol)
Formula: C8H18O
Molecular Weight: 130.23
Synonyms: (S)-6-methylheptan-2-ol;
Density: 0.82 g/cm3
Boiling Point: 175.999 °C at 760 mmHg
Flash Point: 67.222 °C
PSA: 20.23000
LogP: 2.19350
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Specification

The (2S)-6-Methylheptan-2-ol with its cas register number is 87247-19-6. It also can be called as (S)-6-Methylheptan-2-ol and the IUPAC Name about this chemical is (2S)-6-methylheptan-2-ol.

Physical properties about (2S)-6-Methylheptan-2-ol are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.565; (3)ACD/LogD (pH 7.4): 2.565; (4)ACD/BCF (pH 5.5): 52.381; (5)ACD/BCF (pH 7.4): 52.381; (6)ACD/KOC (pH 5.5): 591.831; (7)ACD/KOC (pH 7.4): 591.831; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 20.23Å2; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 40.564 cm3; (14)Molar Volume: 158.849 cm3; (15)Polarizability: 16.081x10-24cm3; (16)Surface Tension: 26.95 dyne/cm; (17)Enthalpy of Vaporization: 48.002 kJ/mol; (18)Vapour Pressure: 0.342 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCC(C)O
(2)Isomeric SMILES: C[C@@H](CCCC(C)C)O
(3)InChI: InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3/t8-/m0/s1 
(4)InChIKey: FCOUHTHQYOMLJT-QMMMGPOBSA-N