Diheptyl Phthalate - Materials / Alfa Chemistry

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Diheptyl Phthalate

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Catalog Number

ACMA00016928

Product Name

Diheptyl Phthalate

Category

Polymers

Description

Diheptyl phthalate appears as odorless white liquid. May float or sink in water. (USCG, 1999);ODOURLESS COLOURLESS LIQUID.

IUPAC Name

diheptyl benzene-1,2-dicarboxylate

Molecular Weight

362.5g/mol

Molecular Formula

C22H34O4;C22H34O4

Canonical SMILES

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC

InChI

InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3

InChI Key

JQCXWCOOWVGKMT-UHFFFAOYSA-N

Boiling Point

360 °C;360 °C

Flash Point

224 °C c.c.

Density

1 at 68 °F (est.) (USCG, 1999);Relative density (water = 1): 0.99

Solubility

0.01% in water;Sol in benzene, toluene, petrol, kerosene, and mineral oils;In water, 1.83X10-3 mg/L at 25 °C (est)

Color/Form

Colorless liquid

Complexity

344

Covalently-Bonded Unit Count

EC Number

222-885-4;271-086-7

Exact Mass

362.24571g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0832

Log P

log Kow = 7.56 (est);7.6 (estimated)

MeSH Entry Terms

diheptyl phthalate

Monoisotopic Mass

362.24571g/mol

Odor

Practically odorless

Other Experimental

Vapor pressure for phthalate esters are extremely low, contributing much to their thermal stability in plastics. /Phthalate esters/;0.14% (by wt) of water in the phthalate;Most phthalate esters have a relatively high calculated log octanol/water partition coefficient > 2.12 indicating that they are lipophilic. /Phthalate esters/;... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/;Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/;Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/;Henry's Law constant = 3.54X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.78X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

TI1090000

UNII

IE05VO8P8P

Vapor Pressure

2.07X10-6 mm Hg at 25 °C (est);Vapor pressure, kPa at 20 °C: 0.0002

XLogP3

MSDS

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COA

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