Chemical Name: BENZENESULFONIC ACID N-BUTYL ESTER
Molecular Formula: C10H14O3S
Molecular Weight: 214.28
InChI Key: NIKBCKTWWPVAIC-UHFFFAOYSA-N
InChI: InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

FW:	214.28100
CAS:	80-44-4
Melting_Point:	N/A
Bolling_Point:	153ºC / 7mmHg
MF:	C10H14O3S
Product_Name:	Butyl Benzenesulfonate
Flash_Point:	N/A
Density:	1.15

FW:	214.28100
MF:	C10H14O3S
Computational_Chemistry:	['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 518 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :235 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Bolling_Point:	153ºC / 7mmHg
LogP:	3.27280
Density:	1.15
PSA:	51.75000
Exact_Mass:	214.06600
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 5583 ', '2 . Molar volume （m3/mol）1870 ', '3 . Parachor （902K）4638 ', '4 . Surface tension 377 ', '5 . Polarizability 2213']
More_Info:	['一物性数据 ', '1 . Appearance 不确定。 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）260-265 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']