Chemical Properties of 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-pentafluoropropionyl-

4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-pentafluoropropionyl-

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InChI
InChI=1S/C16H10ClF5N2O5S/c1-9-8-11(24(26)27)4-7-13(9)23(14(25)15(18,19)16(20,21)22)30(28,29)12-5-2-10(17)3-6-12/h2-8H,1H3
InChI Key
YWEVIRDQFMLLJA-UHFFFAOYSA-N
Formula
C16H10ClF5N2O5S
SMILES
Cc1cc([N+](=O)[O-])ccc1N(C(=O)C(F)(F)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
Molecular Weight1
472.77
Sources

Physical Properties

Property Value Unit Source
Δf -1151.66 kJ/mol Joback Calculated Property
Δfgas -1457.87 kJ/mol Joback Calculated Property
Δfus 56.24 kJ/mol Joback Calculated Property
Δvap 99.47 kJ/mol Joback Calculated Property
logPoct/wat 4.48 Crippen Calculated Property
Pc 2197.95 kPa Joback Calculated Property
Tboil 927.03 K Joback Calculated Property
Tc 1155.66 K Joback Calculated Property
Tfus 662.76 K Joback Calculated Property
Vc 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 773.10 J/mol×K 927.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 7
-NO2 1
>N- 1
=C< (ring) 5
-S- 1
-F 5
>C< 2
-CH3 1
=O 2
>C=O (nonring) 1

Similar Compounds

4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-heptafluorobutyryl-. 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-trifluoroacetyl-. N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, O,N-di(pentafluoropropionyl)-. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Brucine. Ergocristin. Heptafluorobutyryl-codeine. Chlortetracycline hydrochloride. Tetracycline hydrochloride. Thebaine. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Nalmefene, bis(trifluoroacetate). ERGOTAMINE. Etorphine. Cyanocobalamin.

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