2-Methyl-3-butenenitrile

Catalog No: FT-0691770

CAS No: 16529-56-9

Chemical Name: 2-Methyl-3-butenenitrile
Molecular Formula: C5H7N
Molecular Weight: 81.12
InChI Key: WBAXCOMEMKANRN-UHFFFAOYSA-N
InChI: InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3

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:	16529-56-9
MF:	C5H7N
Flash_Point:	15ºC
Product_Name:	2-Methyl-3-butenenitrile
Density:	0.811g/cm3
FW:	81.11580
Bolling_Point:	121ºC

Refractive_Index:	1.411
Vapor_Pressure:	17.5mmHg at 25°C
Flash_Point:	15ºC
LogP:	1.33208
Bolling_Point:	121ºC
FW:	81.11580
PSA:	23.79000
Computational_Chemistry:	['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :854 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C5H7N
Exact_Mass:	81.05780
Molecular_Structure:	['1 . Molar refractive index 2481 ', '2 . Molar volume （m3/mol）999 ', '3 . Parachor （902K）2257 ', '4 . Surface tension 260 ', '5 . Polarizability 983']
Density:	0.811g/cm3
More_Info:	['1. Appearance Unknow 2 . Density（g/mL,25/4 ℃ ） 0,82 g/cm', '3 3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）124 °C6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）15°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']