Chemical Properties of Heptafluorobutanamide, n-ethyl-n-(3-methylphenyl)-

Heptafluorobutanamide, n-ethyl-n-(3-methylphenyl)-

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InChI
InChI=1S/C13H12F7NO/c1-3-21(9-6-4-5-8(2)7-9)10(22)11(14,15)12(16,17)13(18,19)20/h4-7H,3H2,1-2H3
InChI Key
BURAUADCMPNCGS-UHFFFAOYSA-N
Formula
C13H12F7NO
SMILES
CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccc(C)c1
Molecular Weight1
331.23
Sources

Physical Properties

Property Value Unit Source
Δf -1211.93 kJ/mol Joback Calculated Property
Δfgas -1530.66 kJ/mol Joback Calculated Property
Δfus 27.02 kJ/mol Joback Calculated Property
Δvap 46.65 kJ/mol Joback Calculated Property
logPoct/wat 4.18 Crippen Calculated Property
Pc 1815.41 kPa Joback Calculated Property
Tboil 580.01 K Joback Calculated Property
Tc 755.39 K Joback Calculated Property
Tfus 369.00 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 519.99 J/mol×K 580.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-F 7
=CH- (ring) 4
>N- 1
=C< (ring) 2
-CH2- 1
>C< 3
-CH3 2
>C=O (nonring) 1

Similar Compounds

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. N-(3-Chlorophenyl)-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2,2,3,3,4,4,4-heptafluorobutanamide. 5-Chloro-2-methyl-aniline, N,N-bis(heptafluorobutyryl)-. Butanamide, n-(3-methylphenyl)-2,2,3,3,4,4,4-heptafluoro-. Fenuron, HFBA. Benzoic acid, 3-(heptafluorobutyrylamino)-. Chlortoluron, HFBA. 2-Methylbenzene-1,4-diamine, N1,N4-bis(heptafluorobutyryl)-. Metobromuron, HFBA. Monolinuron, HFBA. 2-Methylbenzene-1,4-diamine, N1,N1,N4,N4-tetrakis(pentafluoropropionyl)-. Neburon, HFBA. Buturon, HFBA. 2-Methylbenzene-1,4-diamine, tris(pentafluoropropionyl)-, isomer 1. Metoxuron, HFBA.

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