Chemical Properties of Fluometuron (CAS 2164-17-2)

InChI

InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

InChI Key

RZILCCPWPBTYDO-UHFFFAOYSA-N

Formula

C10H11F3N2O

SMILES

CN(C)C(=O)Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

232.20

CAS

2164-17-2

Other Names

• 1,1-Dimethyl-3-(3-trifluoromethylphenyl)urea
• 1,1-Dimethyl-3-(«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl) urea
• 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
• 3-(3-Trifluoromethylphenyl)-1,1-dimethylurea
• 3-(5-Trifluormethylphenyl)-1,1-dimethylharnstoff
• 3-(m-Trifluoromethylphenyl)-1,1-dimethylurea
• C 2059
• Ciba 2059
• Cotoran
• Cotoran multi 50wp
• Cottonex
• Fluorometuron
• Herbicide C-2059
• Higalcoton
• Kotoran
• Lanex
• N-(3-Trifluoromethylphenyl)-N',N'-dimethylurea
• N-(m-Trifluoromethylphenyl)-N',N'-dimethylurea
• NCI-C08695
• Pakhtaran
• Urea, 1,1-dimethyl-3-(«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)-
• Urea, N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]-

• 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).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.85	kJ/mol	Joback Calculated Property
ΔvapH°	75.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	[-3.46; -3.32]
log10WS	-3.43		Aq. Solubility Prediction
log10WS	-3.32		Estimated Solubility
log10WS	-3.46		Rytting (2005)
logPoct/wat	2.799		Crippen Calculated Property
McVol	154.840	ml/mol	McGowan Calculated Property
Tboil	532.11	K	Relay (1.0) Calculated Property
Tfus	[434.00; 436.90]	K
Tfus	436.90	K	Aq. Solubility Prediction
Tfus	434.80 ± 0.20	K	NIST
Tfus	434.00 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[386.84; 452.12]	J/mol×K	[570.92; 766.63]
Cp,gas	386.84	J/mol×K	570.92	Joback Calculated Property
Cp,gas	399.79	J/mol×K	603.54	Joback Calculated Property
Cp,gas	411.85	J/mol×K	636.16	Joback Calculated Property
Cp,gas	423.06	J/mol×K	668.77	Joback Calculated Property
Cp,gas	433.48	J/mol×K	701.39	Joback Calculated Property
Cp,gas	443.15	J/mol×K	734.01	Joback Calculated Property
Cp,gas	452.12	J/mol×K	766.63	Joback Calculated Property
ΔfusH	29.82	kJ/mol	434.10	NIST

Similar Compounds

Find more compounds similar to Fluometuron.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• 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.