4-octanol
Structural formula
| Business number | 060A |
|---|---|
| Molecular formula | C8H18O |
| Molecular weight | 130.23 |
| label |
Butylpropylmethanol, Butyl propyl carbinol, CH3(CH2)3CH(OH)CH2CH2CH3 |
Numbering system
CAS number:589-62-8
MDL number:MFCD00014409
EINECS number:209-654-3
RTECS number:None
BRN number:1719296
PubChem number:24886744
Physical property data
1. Physical property data
1. Melting point (ºC): -40.7
2. Boiling point (ºC, normal pressure): 176.6°C
3. Density: 0.82g/mL at 25 °C(lit.
4. Refractive index: n20/D 1.425(lit.)
5. Flash point (ºC): 65
6. Relative density (20℃, 4℃): 0.8192
7. Relative density (25℃, 4℃): 0.8154
8. Refractive index at room temperature (n25): 1.4227
9. Critical temperature (ºC): 351.95
10. Critical Density (g·cm-3): 0.253
11. Critical volume (cm3·mol-1) ：515
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 40.60
2. Molar volume (cm3/mol): 158.4
3. Isotonic specific volume (90.2K): 364.5
4. Surface tension (dyne/cm): 28.0
5. Polarizability (10-24cm3): 16.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 52.5
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
Storage method
None
Synthesis method
None
Purpose
None
