2-methylpropyl hexadecanoate isobutyl palmitate
structural formula
| business number | 0310 |
|---|---|
| molecular formula | c20h40o2 |
| molecular weight | 312.53 |
| label |
isobutyl palmitate, palmitic acid isobutyl ester, hexadecanoic acid isobutyl ester, aliphatic compounds |
numbering system
cas number:110-34-9
mdl number:mfcd00059289
einecs number:203-758-2
rtecs number:none
brn number:none
pubchem number:24847910
physical property data
1. character: undetermined
2. density (g/ml,25℃): 0.86
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc): 115-118
5. boiling point (ºc,normal pressure):207
6. boiling point (ºc,kpa): undetermined
7. refractive index: undetermined
8. flashpoint (ºc): 196
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 yet
ecological data
none yet
molecular structure data
1. molar refractive index: 96.43
2. molar volume (m3/mol）：362.5
3. isotonic specific volume (90.2k):849.9
4. surface tension (dyne/cm):30.2
5. polarizability（10-24cm3):38.23
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 8.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 17
5. number of tautomers: none
6. topological molecule polar surface area 26.3
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 236
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
none yet
synthesis method
none yet
purpose
none yet
ial”>5. polarizability（10-24cm3):38.23
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 8.8
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 17
5. number of tautomers: none
6. topological molecule polar surface area 26.3
7. number of heavy atoms: 22
8. surface charge: 0
9. complexity: 236
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
none yet
synthesis method
none yet
purpose
none yet
