Ethyl p-methoxybenzoate

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:94-30-4

MDL number:MFCD00015151

EINECS number:202-320-8

RTECS number:BZ4697000

BRN number:2209700

PubChem number:24901059

Physical property data

Melting point (ºC): 7

Boiling point (ºC): 266

Relative density (20℃, 4℃): 1.1075

Relative density ( 25℃, 4℃): 1.016¹³³

Refractive index at normal temperature (n²⁰): 1.5254

Refractive index at normal temperature (n²⁵): 1.5238

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 49.33

2. Molar volume (cm³/mol): 167.8

3. Isotonic specific volume (90.2K ): 408.5

4. Surface tension (dyne/cm): 35.1

5. Polarizability (10-24cm3): 19.55

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 160

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

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