Chemical Properties of N,n-bis(2-chloroethyl)-p-toluenesulfonamide (CAS 42137-88-2)

N,n-bis(2-chloroethyl)-p-toluenesulfonamide

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InChI
InChI=1S/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3
InChI Key
PTVBBIMKLOMGSY-UHFFFAOYSA-N
Formula
C11H15Cl2NO2S
SMILES
Cc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1
Molecular Weight1
296.21
CAS
42137-88-2
Other Names
  • Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-
  • N,N-Bis(«beta»-chloroethyl)-p-toluenesulfonamide
  • N,N-Bis-(2-chloro-ethyl)-4-methyl-benzenesulfonamide
  • N,N-bis(2-chloroethyl)-p-toluenesulphonamide
Sources

Physical Properties

Property Value Unit Source
Δf -237.10 kJ/mol Joback Calculated Property
Δfgas -462.61 kJ/mol Joback Calculated Property
Δfus 40.69 kJ/mol Joback Calculated Property
Δvap 72.47 kJ/mol Joback Calculated Property
logPoct/wat 2.46 Crippen Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Tboil 617.82 K Joback Calculated Property
Tc 820.70 K Joback Calculated Property
Tfus 383.54 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 477.16 J/mol×K 617.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 2
=CH- (ring) 4
-S- 1
>N- 1
=C< (ring) 2
-CH2- 4
=O 2
-CH3 1

Similar Compounds

Benzenesulfonamide, 4-methyl-N-ethyl-N-hexyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-tetradecyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-decyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-nonyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-undecyl-. Benzenesulfonamide, 4-methyl-N-ethyl-N-dodecyl-. 4-Toluenesulfonamide, n-ethyl-. Benzenesulfonamide, n,n,4-trimethyl-. P-(dipropylsulfamoyl) benzoic acid. N-n-butyl-p-toluene sulfonamide. Probenecid Me, #1. P-toluenesulfonamide, n,n'-(dithiodiethylene)bis-. P-toluenesulfonamide, n-(4-acetamidobutyl)-. Benzenesulfonamide, n,4-dimethyl-. 4-Ethylamino-N,N-diethylbenzenesulfamide.

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