Ethyl nicotinoate CAS614-18-6

Details:

Density 1.1± 0.1g /cm3

Boiling point 224.0±0.0 °C at 760 mmHg

Melting point 8-10 °C(lit.)

Molecular formula C8H9NO2

Molecular weight 151.163

Flash point 93.3±0.0 °C

Accurate mass 151.063324

PSA 39.19000

LogP is 1.41

Appearance properties light yellow liquid

Vapor pressure 0.1±0.4 mmHg at 25°C

Refractive index of 1.506

Storage condition

Storage:

 

Seal the container, store it in the sealed main container, and keep it in a cool, dry place.

 

stability

1. At normal temperature and pressure, or without decomposition of products.

 

2. It exists in tobacco leaves.

 

Water soluble miscible

Molecular structure

V. Molecular Property Data:

 

1. Molar refractive index: 40.75

 

2, molar volume (cm3/mol) : 137.0

 

3. Isotropic volume (90.2K) : 346.0

 

4. Surface tension (dyne/cm) : 40.6

 

5. Polarization (10-24cm3) : 16.15

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) : None

 

2. Number of hydrogen bond donors :0

 

3. Number of hydrogen bond receptors :3

 

4. Number of rotatable bonds :3

 

5. Number of tautomers: None

 

6. Topological molecular polar surface area 39.2

 

7. Number of heavy atoms :11

 

8. Surface charge :0

 

9. Complexity :136

 

10. Number of isotope atoms :0

 

11. Determine the number of primary constitutive centers :0

 

12. Number of indeterminate atomic orthotropic centers :0

 

13. Determine the number of chemical bond constitutive centers :0

 

14. Number of uncertain bond constitutive centers :0

 

15. Number of covalent bond units :1

Package

 

Delivery

 

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