n-butyl octanoate
structural formula
| business number | 060e |
|---|---|
| molecular formula | c12h24o2 |
| molecular weight | 200.32 |
| label |
none |
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
