CAS No.19780-79-1,2-HEXYL-1-OCTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19780-79-1
Name:	2-HEXYL-1-OCTANOL
Article Data:	2

Formula:	C₁₄H₃₀O
Molecular Weight:	214.392
Synonyms:	2-Hexyl-1-octanol;2-Hexyloctan-1-ol;
Density:	0.832 g/cm³
Boiling Point:	275.7 °C at 760 mmHg
Flash Point:	109.9 °C
PSA:	20.23000
LogP:	4.53570

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Specification

The 1-Octanol, 2-hexyl-, with the CAS registry number 19780-79-1, is also known as 2-Hexyl-1-octanol. This chemical's molecular formula is C₁₄H₃₀O and molecular weight is 214.39. What's more, its systematic name is 2-Hexyloctan-1-ol.

Physical properties of 1-Octanol, 2-hexyl- are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21558.2; (6)ACD/BCF (pH 7.4): 21558.2; (7)ACD/KOC (pH 5.5): 44013.48; (8)ACD/KOC (pH 7.4): 44013.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 68.4 cm³; (15)Molar Volume: 257.5 cm³; (16)Polarizability: 27.11×10^-24 cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.832 g/cm³; (19)Flash Point: 109.9 °C; (20)Enthalpy of Vaporization: 59.69 kJ/mol; (21)Boiling Point: 275.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000628 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCC)CCCCCC
(2)InChI: InChI=1/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
(3)InChIKey: QNMCWJOEQBZQHB-UHFFFAOYAB