BENZOIC ACID TERT-BUTYL ESTER

Catalog No: FT-0632938

CAS No: 774-65-2

Chemical Name: BENZOIC ACID TERT-BUTYL ESTER
Molecular Formula: C11H14O2
Molecular Weight: 178.23 g/mol
InChI Key: LYDRKKWPKKEMNZ-UHFFFAOYSA-N
InChI: InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

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

Melting_Point:	N/A
CAS:	774-65-2
MF:	C11H14O2
Flash_Point:	100.4ºC
Product_Name:	tert-butyl benzoate
Density:	1 g/cm3
FW:	178.22800
Bolling_Point:	54ºC / 1mmHg

Refractive_Index:	1.498
Flash_Point:	100.4ºC
LogP:	2.64190
Bolling_Point:	54ºC / 1mmHg
FW:	178.22800
PSA:	26.30000
Computational_Chemistry:	['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :173 ', '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']
MF:	C11H14O2
Exact_Mass:	178.09900
Molecular_Structure:	['1 . Molar refractive index 5189 ', '2 . Molar volume 1768 ', '3 . Parachor （902K）4265 ', '4 . Surface tension 338 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2057']
Density:	1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0988 g/cm3 ', '3 . Boiling point（ºC）11218 ', '4 . Melting point（ºC）Unknow ', '5 相对. Density（20℃，4℃）09933 ', '6 . Boiling point（ºC, 1mmHg）54 °C ', '7 常温. Refractive index（n20）14910 ', '8 常温. Refractive index（n25）14886 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']