2,2-diethyl-1,3-propanediol
structural formula
| business number | 0385 |
|---|---|
| molecular formula | c7h16o2 |
| molecular weight | 132.20 |
| label |
hoch2c(c2h5)2ch2oh, oxygen compounds |
numbering system
cas number:115-76-4
mdl number:mfcd00004695
einecs number:204-103-3
rtecs number:ty5250000
brn number:none
pubchem number:24893312
physical property data
1. character: undetermined
2. density (g/ml,20℃): undetermined
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc): 59-61
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc,10mmhg): 160
7. refractive index: undetermined
8. flashpoint (ºc): 102
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
rabbit transdermal ld5o：4240ul/kg
ecological data
none
molecular structure data
5. molecular property data:
1、 moore refractive index: 37.51
2、 moore volume (m3/mol):139.1
3、 isotonic specific volume (90.2k) ：339.2
4、 surface tension (dyne/cm):35.3
5、 polarizability (10-24cm3):14.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.8
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 61.3
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
family: arial; mso-font-kerning: 0pt”>339.2
4、 surface tension (dyne/cm):35.3
5、 polarizability (10-24cm3):14.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.8
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 61.3
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
