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25917-35-5

25917-35-5 structural image
Product Name: hexanol
Formula: C6H14O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Hexanols appears as a clear colorless liquid mixture of isomeric six-carbon alcohols with similar chemical properties. Vapors are heavier than air. Used to make pharmaceuticals and as a solvent.
Color/Form Colorless liquid
Odor Characteristic; sweet alcohol; pleasant
Taste FATTY, FRUITY
Boiling Point 314.8 °F at 760 mmHg (USCG, 1999)
Melting Point -48.3 °F (USCG, 1999)
Flash Point 145 °F (USCG, 1999)
Solubility Sol in ethanol, acetone, chloroform; miscible with ether, benzene; slightly soluble in carbon tetrachloride
Density 0.85 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 3.5 (Air = 1)
Vapor Pressure 38.78 mmHg (USCG, 1999)
LogP log Kow = 2.03
Henry's Law Constant Henry's Law constant = 1.71X10-5 atm-cu m/mole at 25 °C
Autoignition Temperature 580 °F (USCG, 1999)
Viscosity 0.592 cP at 25 °C
Heat of Combustion -951.86 kcal/mole at 25 °C
Heat of Vaporization 14.78 kcal/mole at 25 °C
Surface Tension 25.73 dyne/cm at 25.20 °C
Odor Threshold Odor Threshold Low: 0.007 [mmHg] Odor Threshold High: 0.01 [mmHg] [ChemIDplus] Odor threshold = 0.007 -0.01 ppm (detection)
Refractive Index Index of refraction = 1.4162 at 25 °C/4 °C
Relative Evaporation Rate 0.05 (butyl acetate = 1)
Kovats Retention Index 852 841 853 847.9 843 849 849 854 854 854 860 852 849 860 852.7 854 857 851 853 854 854 852 852 859 859 866 858 889 848 857 861 859 859.9 861.1 862.3 866.3 870.1 889.4 896.8 832 858 858 862 821 853 859.54 854 848 848.2 856 831.9 836.6 860 860 878 879.5 859 822 823 845 851 863 868 868 860 854 881 881 858 859 857 858 852 858 858 850 853 856 855 856 853 852 860 860 848 849 851 850 837 854 872 853 843 864 856 847 845 866 852 850 832 858 850 856 849.3 852 858 827 853 853.8 847 858 843 839 858 858 858 844 859 848 859.11 853 842 855 845.2 852 862 843 877 854 854 852 862.8 849 857 848 858 858 858 870 849 850 850 851 852 848 852 860 858 848 848 846 848 848 849 848 847 858 858 839 858 856 856 849 852 864 856 858 859 858 884 862 842 867.3 871.7
Other Experimental Properties Heat capacity = 57.68 cal/K-mol
Chemical Classes Solvents -> Alcohols (<C12)

COMPUTED DESCRIPTORS

Molecular Weight 102.17 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 102.104465066 g/mol
Monoisotopic Mass 102.104465066 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 27.4
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Hexanols appears as a clear colorless liquid mixture of isomeric six-carbon alcohols with similar chemical properties. Vapors are heavier than air. Used to make pharmaceuticals and as a solvent.