Chemical Properties of Buturon, HFBA

Buturon, HFBA

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InChI
InChI=1S/C16H12ClF7N2O2/c1-4-9(2)25(3)13(28)26(11-7-5-10(17)6-8-11)12(27)14(18,19)15(20,21)16(22,23)24/h1,5-9H,2-3H3
InChI Key
FNMKVFLBRBGPFD-UHFFFAOYSA-N
Formula
C16H12ClF7N2O2
SMILES
C#CC(C)N(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1
Molecular Weight1
432.72
Sources

Physical Properties

Property Value Unit Source
Δf -996.11 kJ/mol Joback Calculated Property
Δfgas -1366.75 kJ/mol Joback Calculated Property
Δfus 43.05 kJ/mol Joback Calculated Property
Δvap 65.97 kJ/mol Joback Calculated Property
logPoct/wat 4.58 Crippen Calculated Property
Pc 1659.19 kPa Joback Calculated Property
Tboil 742.07 K Joback Calculated Property
Tc 935.56 K Joback Calculated Property
Tfus 547.10 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 711.94 J/mol×K 742.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-Cl 1
=CH- (ring) 4
#C- 1
=C< (ring) 2
>N- 2
-F 7
>C< 3
#CH 1
>C=O (nonring) 2
-CH3 2

Similar Compounds

Fenuron, HFBA. Neburon, HFBA. Metoxuron, HFBA. Monolinuron, HFBA. Chlortoluron, HFBA. Metobromuron, HFBA. Chlorbromuron, HFBA. 5-Chloro-2-methyl-aniline, N,N-bis(heptafluorobutyryl)-. N-(3-Chlorophenyl)-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,2,3,3,4,4,4-heptafluorobutanamide. 2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate. N-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-N-(4-((2,2,3,3,4,4,4-heptafluorobutanoyl)amino)phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide. Thebaine. Codeinone, 14-hydroxy-. Heptafluorobutanamide, n-ethyl-n-(3-methylphenyl)-. Heptafluorobutyryl-codeine.

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