FT-0605869 CAS:80789-75-9 chemical structure

1-(P-TOLYL)-1-CYCLOPENTANECARBOXYLIC ACID

Name: 1-(P-TOLYL)-1-CYCLOPENTANECARBOXYLIC ACID
Rating: 4.5 (11 reviews)

Catalog No: FT-0605869

CAS No: 80789-75-9

Molecular Formula: 204.26
Formula Weight: C13H16O2
Inchl Key: YKDWTRWSHHGVII-UHFFFAOYSA-N
Inchl: InChI=1S/C13H16O2/c1-10-4-6-11(7-5-10)13(12(14)15)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3,(H,14,15)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Flash_Point:	165.6ºC
FW:	204.26500
Bolling_Point:	355.7ºC at 760 mmHg
Product_Name:	1-(p-tolyl)-1-cyclopentanecarboxylic acid
CAS:	80789-75-9
MF:	C13H16O2
Melting_Point:	181-184ºC
Density:	1.135 g/cm3

Bolling_Point:	355.7ºC at 760 mmHg
Molecular_Structure:	['1 . Molar refractive index 5834 ', '2 . Molar volume （m3/mol）1798 ', '3 . Parachor （902K）4712 ', '4 . Surface tension 471 ', '5 . Polarizability （10 -24cm 3）2312']
LogP:	2.89140
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）181-184 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
MF:	C13H16O2
Computational_Chemistry:	['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 15 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 233 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	181-184ºC
PSA:	37.30000
Flash_Point:	165.6ºC
FW:	204.26500
Exact_Mass:	204.11500
Density:	1.135 g/cm3