Chemical Properties of Benzamide, N-ethyl-N-[(4-ethylaminophenyl)sulfonyl]-

InChI

InChI=1S/C17H20N2O3S/c1-3-18-15-10-12-16(13-11-15)23(21,22)19(4-2)17(20)14-8-6-5-7-9-14/h5-13,18H,3-4H2,1-2H3

InChI Key

NIDUGUJXKZMUFY-UHFFFAOYSA-N

Formula

C17H20N2O3S

SMILES

CCNc1ccc(S(=O)(=O)N(CC)C(=O)c2ccccc2)cc1

Molecular Weight¹

332.42

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-336.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.58	kJ/mol	Joback Calculated Property
ΔvapH°	107.90	kJ/mol	Relay (1.0) Calculated Property
IE	7.38	eV	Relay (1.0) Calculated Property
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	2.969		Crippen Calculated Property
McVol	252.490	ml/mol	McGowan Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST
Tboil	703.06	K	Relay (1.0) Calculated Property
Tc	994.93	K	Relay (1.0) Calculated Property
Tfus	391.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[728.89; 796.65]	J/mol×K	[811.16; 1031.73]
Cp,gas	728.89	J/mol×K	811.16	Joback Calculated Property
Cp,gas	743.25	J/mol×K	847.92	Joback Calculated Property
Cp,gas	756.31	J/mol×K	884.68	Joback Calculated Property
Cp,gas	768.12	J/mol×K	921.44	Joback Calculated Property
Cp,gas	778.75	J/mol×K	958.20	Joback Calculated Property
Cp,gas	788.24	J/mol×K	994.97	Joback Calculated Property
Cp,gas	796.65	J/mol×K	1031.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-ethyl-N-[(4-ethylaminophenyl)sulfonyl]-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.