n-butyl ester benzenesulfonic acid n-butyl ester
structural formula
| business number | 01r2 |
|---|---|
| molecular formula | c10h14o3s |
| molecular weight | 214.28 |
| label |
none |
numbering system
cas number:80-44-4
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data
1. character: uncertain.
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):260 -265
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: uncertain
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12. 17. explosion limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility: uncertain
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 55.83
2. molar volume (m3/mol）：187.0
3. isotonic specific volume (90.2k):463.8
4. surface tension (dyne/cm):37.7
5. polarizability（10-24cm3):22.13
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.5
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 5
5. number of tautomers: none
6. topological molecule polar surface area 51.8
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 235
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
us style=”font-size: 9pt; font-family: arial; mso-fareast-font-family: arial”>3. isotonic specific volume (90.2k ): 463.8
4. surface tension (dyne/cm):37.7
5. polarizability（10-24cm3):22.13
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.5
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 5
5. number of tautomers: none
6. topological molecule polar surface area 51.8
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 235
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