Chemical Properties of N,N-Bis-(2-chloro-ethyl)-4-methyl-benzenesulfonamide

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

296.22

Other Names

• N,N-Bis(«beta»-chloroethyl)-p-toluenesulfonamide
• Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-
• N,N-Bis-(2-chloro-ethyl)-4-methyl-benzenesulfonamide
• N,N-bis(2-chloroethyl)-p-toluenesulphonamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[477.16; 549.38]	J/mol×K	[617.82; 820.70]
Cp,gas	477.16	J/mol×K	617.82	Joback Calculated Property
Cp,gas	491.44	J/mol×K	651.63	Joback Calculated Property
Cp,gas	504.78	J/mol×K	685.45	Joback Calculated Property
Cp,gas	517.22	J/mol×K	719.26	Joback Calculated Property
Cp,gas	528.78	J/mol×K	753.07	Joback Calculated Property
Cp,gas	539.49	J/mol×K	786.89	Joback Calculated Property
Cp,gas	549.38	J/mol×K	820.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N-Bis-(2-chloro-ethyl)-4-methyl-benzenesulfonamide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.