CAS 79-01-6 Ethylene trichloride - Materials / Alfa Chemistry

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Ethylene trichloride

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Catalog Number

ACM79016

Product Name

Ethylene trichloride

Structure

CAS

79-01-6

Category

Polymers

Description

Trichloroethylene appears as a clear colorless volatile liquid having a chloroform-like odor. Denser than water and is slightly soluble in water. Noncombustible. Used as a solvent, fumigant, in the manufacture of other chemicals, and for many other uses.;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Colorless liquid (unless dyed blue) with a chloroform-like odor.;Colorless liquid (unless dyed blue) with a chloroform-like odor.

IUPAC Name

1,1,2-trichloroethene

Molecular Weight

131.38g/mol

Molecular Formula

C2HCl3;ClCH=CCl2;C2HCl3

Canonical SMILES

C(=C(Cl)Cl)Cl

InChI

InChI=1S/C2HCl3/c3-1-2(4)5/h1H

InChI Key

XSTXAVWGXDQKEL-UHFFFAOYSA-N

Boiling Point

189 °F at 760 mm Hg (NTP, 1992);87.2 °C;87.2 °C;87 °C;189°F;189°F

Melting Point

-99 °F (NTP, 1992);-84.7 °C;-84.7 °C;-84.8°C;-86 °C;-99°F;-99°F

Flash Point

greater than 200 °F (NTP, 1992);>200°F

Density

1.46 at 68 °F (USCG, 1999);1.4642 at 20 °C/4 °C;Relative density (water = 1): 1.5 (20 °C);1.46;1.46

Solubility

less than 1 mg/mL at 70° F (NTP, 1992);0.01 M;In water, range of 999-1,472 mg/L at 25 °C (average of 1,118 mg/L) /7 measured values/;In water, 1,280 mg/L at 25 °C;Miscible with ethanol, ethyl ether; soluble in acetone, carbon tetrachloride, chloroform;Dissolves most fixed and volatile oils;1.28 mg/mL at 25 °C;Solubility in water, g/100ml at 20 °C: 0.1;0.1%

Color/Form

Colorless liquid (unless dyed blue);Stable, low-boiling, colorless, photoreactive liquid

Complexity

42.9

Corrosivity

Non-corrosive

Covalently-Bonded Unit Count

EC Number

201-167-4

Exact Mass

129.914383g/mol

Formal Charge

Heat of Vaporization

34.54 kJ/mol at 25 °C; 31.40 kJ/mol at 87.21 °C

Heavy Atom Count

ICSC Number

0081

Log P

2.42 (LogP);log Kow = 2.61;2.42;2.42

MeSH Entry Terms

Ethinyl Trichloride;Trichloride, Ethinyl;Trichloroethene;Trichloroethylene;Trielina;Trilene

Monoisotopic Mass

129.914383g/mol

Odor

Ethereal odor;Sweet odor;Characteristic odor resembling that of chloroform

Other Experimental

Percent in saturated air: 10.2 (25 °C); Equivalencies: 1 mg/L = 185.8 ppm and 1 ppm = 5.38 mg/cu m at 25 °C, 760 mm Hg;Ratio of Specific Heats of Vapor (gas) : 1.116;Olive oil/water partition coefficient 522:1 at 37 °C.;Liquid heat capacity: 0.231 Btu/lb-F; saturated vapor pressure: 1.166 lb/sq in; saturated vapor density: 0.02695 lb/cu ft (all at 70 °F);Saturated liquid density: 90.770 lb/cu ft; ideal gas heat capacity: 0.146 Btu/lb-F (All at 75 °F);Weight per gallon at 20 °C: 12.20 lb.;Partition coefficients at 37 °C for trichloroethylene into blood = 9.5; into oil = 718.;Dielectric constant at 16 °C: 3.42; coefficient of cubic expansion: 0.00119 (at 0-40 °C); heat of formation: -42.3 kJ/mol (liquid), -7.78 kJ/mol (vapor); latent heat of vaporization: 238 kJ/kg (at boiling point);Will not attack the common metals even in the presence of moisture;Henry's Law constant = 9.02X10-3 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 2.00X10-12 cu cm/molecule-sec at 25 °C;Nitrate radical reaction rate constant = 2.90X10-16 cu cm/molecule-sec at 25 °C;Ozone reaction rate constant = <5.0X10-20 cu cm/molecule-sec at 25 °C

Refractive Index

Index of refraction: 1.4773 at 20 °C/D

Rotatable Bond Count

RTECS Number

KX4550000

Stability

Stable under recommended storage conditions.;Slowly dec (with formn of /hydrochloric acid/) by light in the presence of moisture.;Slowly decomposed by light in the presence of moisture, with formulation of hydrochloric acid.

UNII

290YE8AR51

UN Number

1710;1710;1710;1710;1710

Vapor Density

4.53 (NTP, 1992) (Relative to Air);4.53 (Air = 1);Relative vapor density (air = 1): 4.5;4.53

Vapor Pressure

60 mm Hg at 68 °F ; 77 mm Hg at 77° F (NTP, 1992);68.99 mmHg;69 mm Hg at 25 °C;Vapor pressure, kPa at 20 °C: 7.8;58 mmHg;58 mmHg

Viscosity

0.545 mPa s at 25 °C

XLogP3

2.6