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
