1,5-Dimethoxypentane 1,5-Dimethoxypentane
Structural formula
| Business number | 034L |
|---|---|
| Molecular formula | C7H16O2 |
| Molecular weight | 132.20 |
| label |
1,5-Pentanediol dimethyl ether, Pentaethylene glycol dimethyl ether, linear compound |
Numbering system
CAS number:111-89-7
MDL number:MFCD03613608
EINECS number:None
RTECS number:None
BRN number:None
PubChem number:24878765
Physical property data
1. Character: Undetermined
2. Density (g/mL,20℃): 0.843
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):161
6. Boiling point (ºC,5.2kPa): Not determined
7. Refractive index: 1.408
8. Flashpoint (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 37.96
2. Molar volume (m3/mol）：156.8
3. isotonic specific volume (90.2K):349.9
4. Surface Tension (dyne/cm):24.8
5. Polarizability（10-24cm3):15.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 18.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 40.2
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
Storage method
None
Synthesis method
None
Purpose
None
SPAN lang=EN-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial”>24.8
5. Polarizability（10-24cm3):15.05
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 18.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 40.2
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
Storage method
None
Synthesis method
None
Purpose
None
