2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID

Catalog No: FT-0634079

CAS No: 2159-42-4

Chemical Name: 2-(3,4-DIMETHYLBENZOYL)BENZOIC ACID
Molecular Formula: C16H14O3
Molecular Weight: 254.28
InChI Key: AYVFSZDAFPVJOA-UHFFFAOYSA-N
InChI: InChI=1S/C16H14O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h3-9H,1-2H3,(H,18,19)

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:	168ºC
CAS:	2159-42-4
MF:	C16H14O3
Flash_Point:	251.3ºC
Product_Name:	2-(3,4-dimethylbenzoyl)benzoic acid
Density:	1.195 g/cm3
FW:	254.28100
Bolling_Point:	468.6ºC at 760 mmHg

Refractive_Index:	1.598
Vapor_Pressure:	1.39E-09mmHg at 25°C
Flash_Point:	251.3ºC
LogP:	3.23260
Bolling_Point:	468.6ºC at 760 mmHg
FW:	254.28100
PSA:	54.37000
Computational_Chemistry:	['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :5 ', '6. TPSA 544 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :350 ', '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']
Melting_Point:	168ºC
MF:	C16H14O3
Exact_Mass:	254.09400
Molecular_Structure:	['1 . Molar refractive index 7262 ', '2 . Molar volume （m3/mol）2126 ', '3 . Parachor （902K）5643 ', '4 . Surface tension 496 ', '5 . Polarizability （10 -24cm 3）2879']
Density:	1.195 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）168 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,20mmHg）Unknow ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,100ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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']