trans-1,2-Dichloroethylene - Materials / Alfa Chemistry

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trans-1,2-Dichloroethylene

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Catalog Number

ACMA00017413

Product Name

trans-1,2-Dichloroethylene

Category

Polymers

Description

1,2-dichloroethylene, (mixed isomers) appears as a clear colorless liquid with ether-like odor. Mixture of cis and trans isomers. Flashpoint 36 - 43° F. Denser than water and insoluble in water. Vapors heavier than air.;1,2-dichloroethylene, (trans isomers) is a clear colorless liquid with a pleasant odor. Flash point 43°F.;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Colorless liquid (usually a mixture of the cis & trans isomers) with a slightly acrid, chloroform-like odor.;Colorless liquid (usually a mixture of the cis & trans isomers) with a slightly acrid, chloroform-like odor.

IUPAC Name

(E)-1,2-dichloroethene

Molecular Weight

96.94g/mol

Molecular Formula

C2H2Cl2;ClCH=CHCl;C2H2Cl2

Canonical SMILES

C(=CCl)Cl

InChI

InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

InChI Key

KFUSEUYYWQURPO-OWOJBTEDSA-N

Boiling Point

118 to 140 °F at 760 mm Hg (NTP, 1992);117 °F at 745 mm Hg (NTP, 1992);54.4 °C;55 °C;47.64 °C;55 °C;118-140°F;118-140°F

Melting Point

-71 °F (NTP, 1992);-58 °F (NTP, 1992);-64.9 °C;-57 °C;-49.8 °C;-57 to -115°F;-57 to -115°F

Flash Point

39 °F (NTP, 1992);43 °F (NTP, 1992);6 °C (43 °F) - closed cup;36 °F (2 °C) - closed cup;6.0 °C (42.8 °F) - closed cup;2 °C c.c.;36-39°F;36-39°F

Density

1.27 at 77 °F (USCG, 1999);1.2743 at 77 °F (NTP, 1992);Approximately 1.28;1.2565 g/cu cm at 20 °C;Relative density (water = 1): 1.28;1.27;(77°F): 1.27

Solubility

less than 1 mg/mL at 70° F (NTP, 1992);less than 1 mg/mL at 64° F (NTP, 1992);In water, 3.50X10+3 mg/L at 25 °C;Insoluble in water;Soluble in alcohol, ether, and most other organic solvents;Soluble in most organic solvents;In water, 4.52X10+3 mg/L at 25 °C;In water, 0.63 g/100 g at 25 °C;Slightly soluble in water;Miscible with ethanol, ethyl ether, acetone; very soluble in benzene, chloroform;Solubility in water: poor;0.4%

Color/Form

Colorless liquid (usually a mixture of the cis- and trans-isomers) ...;Mobile liquid;Colorless, light liquid

Complexity

19.2

Corrosivity

1,2-Dichloroethylene will attack some forms of plastics, rubber, and coatings.

Covalently-Bonded Unit Count

EC Number

205-860-2;208-750-2

Exact Mass

95.953356g/mol

Formal Charge

Heat of Vaporization

130 Btu/lb = 72 cal/g = 3.0X10+5 J/kg;73.7 cal/g at BP

Heavy Atom Count

ICSC Number

0436

Log P

1.86 (LogP);log Kow = 1.86;log Kow = 2.09;2

MeSH Entry Terms

1,2-dichloroethene;1,2-dichloroethylene;1,2-dichloroethylene, (E)-isomer;1,2-dichloroethylene, (Z)-isomer

Monoisotopic Mass

95.953356g/mol

NSC Number

60512

Odor

Ethereal, slightly acrid;Pleasant;Sweet, slightly irritating chloroform-like odor;... Slightly acrid, chloroform-like odor;Sweetish

Other Experimental

log Kow = 2.00 /average of cis- and trans-isomers/;Decomposes slowly on exposure to air, light, and moisture;Waste water treatment: evaporation from water at 25 °C of 1 ppm solution: 50% after 18 min (cis); 90% after 83 min (trans);Liquid-Water Interfacial Tension: (est) 30 dynes/cm = 0.030 N/m at 20 °C; Vapor (Gas) Specific Gravity: 3.34;Henry's Law constant = 4.08X10-3 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 2.09X10-12 cu cm/molecule-sec at 25 °C;MP: -49.4 °C; BP: 47.2 °C at 745 mm Hg;BP: 47-49 °C;Specific heat: 0.270 cal/g at 20 °C;Residue on evaporation: 0.0007% by weight maximum;Vapor pressure = 35.3 mPa at 20 °C;Partition coefficients at 37 °C for trans-1,2-dichloroethylene into blood = 58; into oil = 189.;Vapor pressure: 395 mm Hg at 30 °C;Waste water treatment: Evaporation from water at 25 °C of 1 ppm solution was 50% after 24 minutes and 90% after 83 minutes; measured half-life for evaporation from 1 ppm aqueous solution at 25 °C, still air, and an average depth of 6.5 cm was 24 minutes;Enthalpy of Vaporization: 36.04 kJ/mol at 25 °C;Heat of Formation (liquid): -24;3 kJ/mol; Heat of vaporization at BP: 28.9 kJ/mol;Forms explosive mixtures with air;Henry's Law constant = 9.28X10-3 atm-cu m/mole at 24 °C;Hydroxyl radical reaction rate constant = 2.34X10-12 cu cm/molecule-sec at 25 °C

Refractive Index

Index of refraction: 1.4454 at 20 °C

Rotatable Bond Count

RTECS Number

KV9360000

Stability

Stable under recommended storage conditions.;... Gradually decomposed by light, air, and moisture, forming /hydrogen chloride/.;May form organic peroxides following prolonged contact with air.;Stable under recommended storage conditions.;Noticeable subject to air oxidation.

UNII

41799BI61U

UN Number

1150;1150;1150;1150;1150;1150

Vapor Density

3.34 (NTP, 1992) (Relative to Air);3.34 (NTP, 1992) (Relative to Air);3.4 (Air = 1);3.67 g/L at bp at 760 mm Hg;Relative vapor density (air = 1): 3.34;3.34

Vapor Pressure

180 to 265 mm Hg at 68 °F (NTP, 1992);200 mm Hg at 57 °F ; 400 mm Hg at 87.4° F (NTP, 1992);2.01X10+2 mm Hg at 25 °C;3.31X10+2 mm Hg at 25 °C;180-265 mmHg;180-265 mmHg

Viscosity

0.41 cP at 20 °C

XLogP3

1.9

MSDS

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COA

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Spec Sheet

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