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
