Chemical Properties of Acetamide, N-[2,4-dimethyl-5-[[(trifluoromethyl)sulfonyl]amino]phenyl]- (CAS 53780-34-0)

InChI

InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)

InChI Key

OKIBNKKYNPBDRS-UHFFFAOYSA-N

Formula

C11H13F3N2O3S

SMILES

CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C

Molecular Weight¹

310.29

CAS

53780-34-0

Other Names

• 2',4'-dimethyl-5'-(trifluoromethanesulphonamido)acetanilide
• 5'-(Trifluoromethanesulphonamide)acet-2',4-xylidide
• 5-Acetamido-2,4-dimethyltrifluoromethanesulfonanilide
• Acetanilide, 2',4'-dimethyl-5-((trifluoromethyl)sulfonamido)-
• Embark
• Embark 2S
• Embark plant growth regulator
• MBR 12325
• Mefluidide
• Mowchem
• N-(2,4-Dimethyl-5-(((trifluoromethyl)sulfonyl)amino)phenyl)acetamide
• N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide
• Trimcut
• VEL 3973
• Vistar
• Vistar herbicide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• 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

Property	Value	Unit	Source
ΔfusH°	42.12	kJ/mol	Joback Calculated Property
log10WS	[-3.24; -3.24]
log10WS	-3.24		Aq. Solubility Prediction
log10WS	-3.24		Estimated Solubility
logPoct/wat	2.523		Crippen Calculated Property
McVol	197.020	ml/mol	McGowan Calculated Property
Tfus	457.48 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.67; 613.89]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.38600e+01
Coefficient B			1.11065e+00
Coefficient C			-6.38580e-04
Coefficient D			1.07960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.67	J/mol×K	273.00	Calculated Property
Cp,gas	351.64	J/mol×K	353.78	Calculated Property
Cp,gas	404.77	J/mol×K	434.56	Calculated Property
Cp,gas	451.40	J/mol×K	515.33	Calculated Property
Cp,gas	491.88	J/mol×K	596.11	Calculated Property
Cp,gas	526.55	J/mol×K	676.89	Calculated Property
Cp,gas	555.74	J/mol×K	757.67	Calculated Property
Cp,gas	579.80	J/mol×K	838.44	Calculated Property
Cp,gas	599.07	J/mol×K	919.22	Calculated Property
Cp,gas	613.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, N-[2,4-dimethyl-5-[[(trifluoromethyl)sulfonyl]amino]phenyl]-.

Sources

• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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