trans-1,2-dichloroethylene

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:156-60-5

MDL number:MFCD00062942

EINECS number:205-860-2

RTECS number:KV9400000

BRN number:1420761

PubChem number:24872050

Physical property data

1. Properties: Colorless liquid with an odor similar to chloroform.

2. Boiling point (ºC, 101.3kPa): 47.7

3. Melting point (ºC): -49.4

4. Relative density (g/mL, 20/4ºC): 1.2565

5. Refractive index (n20ºC): 1.4457

6. Viscosity (mPa·s, gas): 0.404

7. Flash point (ºC, open): 3.9

8. Heat of evaporation (KJ/mol, b.p.): 28.91

9. Heat of fusion (KJ/mol): 11.99

10. Heat of combustion (KJ/mol, 18.7ºC): 1095.39

11. Specific heat capacity (KJ/(kg·K), 20ºC): 1.16

12. Critical temperature (ºC): 243.3

13. Critical pressure (MPa): 5.53

14. Volume expansion coefficient (K^-1, 15~45ºC ): 0.00136

15. Solubility: Slightly soluble in water. Miscible with various organic solvents such as ethanol and ether.

16. Relative density (25℃, 4℃): 1.2502

17. Refractive index at room temperature (n²⁵): 1.4435

18. Solubility parameter (J·cm^-3)^0.5: 18.549

19. van der Waals area (cm² ·mol^-1): 5.760×10⁹

20. van der Waals volume (cm³·mol^-1): 40.180

21. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -0.4

22. Gas phase standard entropy (J·mol^-1·K^-1): 289.96

23. Gas phase standard generation is free Energy (kJ·mol^-1): 22.0

24. Gas phase standard hot melt (J·mol^-1·K^-1 ): 66.55

25. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -29.7

26. Liquid phase standard hot melt (J·mol^-1·K^-1): 118.4

Toxicological data

Low toxicity, LD50 (rat, oral) 1ml/kg.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 21.07

2. Molar volume (cm³/mol): 77.9

3. Isotonic specific volume (90.2K ): 175.8

4. Surface tension��dyne/cm): 25.9

5. Dielectric constant (F/m): Not available

6. Polarizability (10^-24 cm³): 8.35

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 19.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

It has a spicy smell. It gradually decomposes when exposed to air, light and moisture to form hydrogen chloride. It is irritating and anesthetic in high concentrations.

Storage method

It should be sealed and stored in a dry place at 4°C away from light.

Synthesis method

None yet

Purpose

Solvent of fat, phenol, camphor, etc. Organic Synthesis. Dyes, fragrances, paints, thermoplastics. Degreaser.