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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7224		Relay (1.0) Calculated Property
ΔfG°	-875.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1108.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.12	kJ/mol	Joback Calculated Property
ΔvapH°	98.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) 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
Pc	2890.51	kPa	Joback Calculated Property
Tboil	568.24	K	Relay (1.0) Calculated Property
Tc	840.88	K	Relay (1.0) Calculated Property
Tfus	457.48 ± 0.20	K	NIST
Vc	0.690	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.37; 590.88]	J/mol×K	[689.27; 882.49]
Cp,gas	531.37	J/mol×K	689.27	Joback Calculated Property
Cp,gas	543.31	J/mol×K	721.47	Joback Calculated Property
Cp,gas	554.42	J/mol×K	753.68	Joback Calculated Property
Cp,gas	564.71	J/mol×K	785.88	Joback Calculated Property
Cp,gas	574.20	J/mol×K	818.09	Joback Calculated Property
Cp,gas	582.91	J/mol×K	850.29	Joback Calculated Property
Cp,gas	590.88	J/mol×K	882.49	Joback Calculated Property
ΔfusH	37.66	kJ/mol	457.30	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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