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544-76-3

544-76-3 structural image
Product Name: N-HEXADECANE-D34
Formula: C16H34
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N-hexadecane is a colorless liquid. (NTP, 1992)
Color/Form Colorless liquid
Odor Odorless (without any specific odor)
Boiling Point 549 °F at 760 mmHg (NTP, 1992)
Melting Point 64.7 °F (NTP, 1992)
Flash Point 275 °F (NTP, 1992)
Solubility In water, 2.1X10-5 mg/L at 25 °C
Density 0.77331 at 68 °F (NTP, 1992) - Less dense than water; will float
Vapor Density 7.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.00143 [mmHg]
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 401 °F (NTP, 1992)
Decomposition When heated to decomposition it emits acrid smoke and irritating vapors.
Viscosity 3.474 mPa s at 20 °C
Heat of Combustion 10040.6 kJ/mol
Heat of Vaporization 81.35 kJ/mol at 25 °C
Surface Tension 27.47 nM/m at 25 °C
Refractive Index Index of refraction: 1.4329 at 25 °C
Kovats Retention Index 1600
Other Experimental Properties Heat of vaporization: 51.84 kJ/mol at 286.86 °C
Chemical Classes Other Classes -> Aliphatics, Saturated (>C11)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H304:Aspiration hazard
Precautionary Statement Codes P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 226.44 g/mol
XLogP3 8.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 13
Exact Mass 226.266051085 g/mol
Monoisotopic Mass 226.266051085 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 92.6
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

N-hexadecane is a colorless liquid. (NTP, 1992)