diethyl ethylmalonate

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:133-13-1

MDL number:MFCD00009167

EINECS number:205-093-3

RTECS number:None

BRN number:607635

PubChem number:24894303

Physical property data

Boiling point (ºC): 208

Relative density (20℃, 4℃): 1.0047

Relative density (25℃, 4℃): 1.0001^85.6

Refractive index at room temperature (n²⁰): 1.4166

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 47.25

2. Molar volume (cm³/mol): 184.4

3. Isotonic specific volume (90.2K): 437.0

4. Surface tension (3.0 dyne/cm): 31.5

5. Polarizability (0.5 10 ^-24cm³): 18.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 159

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: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Basic properties

Colorless liquid. Has an ester smell. Easily soluble in ethanol and ether, soluble in acetone and chloroform, slightly soluble in water. Relative density 1.0047. Boiling point 207~209℃. Refractive index 1.4166. Flash point 88～℃.

Storage method

Storage

Keep sealed in a cool place.

Synthesis method

None yet

Purpose

Usage

Organic synthesis intermediate.