Chemical Properties of Chlortoluron, HFBA

Chlortoluron, HFBA

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InChI
InChI=1S/C14H12ClF7N2O2/c1-7-4-5-8(6-9(7)15)24(11(26)23(2)3)10(25)12(16,17)13(18,19)14(20,21)22/h4-6H,1-3H3
InChI Key
YJWLAPUVCFNLAN-UHFFFAOYSA-N
Formula
C14H12ClF7N2O2
SMILES
Cc1ccc(N(C(=O)N(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl
Molecular Weight1
408.70
Sources

Physical Properties

Property Value Unit Source
Δf -1243.21 kJ/mol Joback Calculated Property
Δfgas -1623.56 kJ/mol Joback Calculated Property
Δfus 38.03 kJ/mol Joback Calculated Property
Δvap 62.71 kJ/mol Joback Calculated Property
logPoct/wat 4.50 Crippen Calculated Property
Pc 1687.95 kPa Joback Calculated Property
Tboil 711.61 K Joback Calculated Property
Tc 897.47 K Joback Calculated Property
Tfus 505.11 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.03 J/mol×K 711.61 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Neburon, HFBA. Metoxuron, HFBA. Fenuron, HFBA. Chlorbromuron, HFBA. Buturon, HFBA. Monolinuron, HFBA. Metobromuron, 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. 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. 2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate. Heptafluorobutanamide, n-ethyl-n-(3-methylphenyl)-. Chlortetracycline hydrochloride. Codeinone, 14-hydroxy-. Cyanocobalamin.

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