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
