FT-0609275 CAS:813-72-9 chemical structure

2,2-DIMETHYLHEXANOIC ACID

Name: 2,2-DIMETHYLHEXANOIC ACID
Rating: 4.5 (11 reviews)

Catalog No: FT-0609275

CAS No: 813-72-9

Molecular Formula: 144.21
Formula Weight: C8H16O2
Inchl Key: YTTWDTVYXAEAJA-UHFFFAOYSA-N
Inchl: InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)

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

Product_Name:	2,2-Dimethylhexanoic acid
Flash_Point:	216-220°C
Melting_Point:	N/A
FW:	144.21100
Density:	0,913 g/cm3
CAS:	813-72-9
Bolling_Point:	216-220°C
MF:	C8H16O2

Molecular_Structure:	['1 . Molar refractive index 4064 ', '2 . Molar volume （m3/mol）1552 ', '3 . Parachor （902K）3673 ', '4 . Surface tension 313 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） 7 . Polarizability 1611']
LogP:	2.28740
Flash_Point:	216-220°C
Refractive_Index:	1.4270
FW:	144.21100
Density:	0,913 g/cm3
Bolling_Point:	216-220°C
Computational_Chemistry:	['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :116 ', '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']
PSA:	37.30000
MF:	C8H16O2
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0,913 g/cm3 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）216-220°C ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index14270 ', '8 . Flash point（ºC）216-220°C ', '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']
Exact_Mass:	144.11500