n-butyl octanoate

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:589-75-3

mdl number:none

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. physical property data

1. boiling point (ºc, normal pressure): 245°c0.1 mm hg (lit.)

2. density: 0.86g/ml at 25 °c(lit.

3. flash point (ºc): 124ºc

4. melting point (ºc): -42.9

5. relative density (20℃, 4℃): 0.8628

6. relative density (25℃, 4℃): 0.8584

7. refractive index at room temperature (n²⁵): 1.4232

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 59.41

2. molar volume (cm³/mol): 230.0

3. isotonic specific volume (90.2k): 534.3

4. surface tension (dyne/cm): 29.0

5. polarizability (10^-24cm³): 23.55

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.4

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 10

5. number of tautomers: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 132

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

storage conditions:

-20ºc

synthesis method

none yet

purpose

none yet

resource:allhdi.com