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68515-50-4

68515-50-4 structural image
Product Name: DI-N-HEXYL PHTHALATE
Formula: C20H30O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Di-n-hexyl phthalate is a yellow-brown oily viscous liquid with a slight aromatic odor. Insoluble in water. (NTP, 1992)
Color/Form Clear, oily liuid
Odor Slightly aromatic
Boiling Point 662 °F at 735 mmHg (NTP, 1992)
Melting Point -72 °F (NTP, 1992)
Flash Point 350 °F (NTP, 1992)
Solubility Insoluble (NTP, 1992)
Density 0.995 at 68 °F (NTP, 1992) - Less dense than water; will float
Vapor Density 11.5 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.000014 [mmHg]
LogP log Kow = 6.82
Kovats Retention Index 2305 2306 2308 2272 2281 2331 2306
Other Experimental Properties CONVERSION FACTORS: 13.65 MG/CU M= APPROX 1 PPM
Chemical Classes UVCB

COMPUTED DESCRIPTORS

Molecular Weight 334.4 g/mol
XLogP3 6.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 14
Exact Mass 334.21440943 g/mol
Monoisotopic Mass 334.21440943 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 320
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

Di-n-hexyl phthalate is a yellow-brown oily viscous liquid with a slight aromatic odor. Insoluble in water. (NTP, 1992)