Chemical Properties of Difluron (CAS 104790-81-0)

Difluron

InChI
InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
InChI Key
QQQYTWIFVNKMRW-UHFFFAOYSA-N
Formula
C14H9ClF2N2O2
SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1
Molecular Weight1
310.68
CAS
104790-81-0
Other Names
  • 1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea
  • AI3-29054
  • Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-
  • DU 112307
  • Diflubenzuron
  • Dimilin
  • Duphacid
  • ENT-29054
  • Larvakil
  • Micromite
  • N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide
  • N-[[(4-Chlorophenyl)amno]carbonyl]-2,6-difluorobenzamide
  • N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide
  • OMS 1804
  • PDD 6040-I
  • PH 60-40
  • TH 6040
  • Thompson-Hayward 6040
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Physical Properties

Property Value Unit Source
ΔfusH° 42.68 kJ/mol Joback Calculated Property
IE 8.44 eV Relay (1.0) Calculated Property
log10WS [-6.21; -6.02]   Show Hide
log10WS -6.21 Aq. Solubility Prediction
log10WS -6.02 Estimated Solubility
logPoct/wat 3.580 Crippen Calculated Property
McVol 199.480 ml/mol McGowan Calculated Property
Tfus 512.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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 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
ΔfusH 55.99 kJ/mol 499.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [259.63; 569.66] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.62000e+00
Coefficient B1.12430e+00
Coefficient C-7.12080e-04
Coefficient D1.54820e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.63 J/mol×K 273.00 Calculated Property
Cp,gas 318.10 J/mol×K 353.78 Calculated Property
Cp,gas 369.43 J/mol×K 434.56 Calculated Property
Cp,gas 414.09 J/mol×K 515.33 Calculated Property
Cp,gas 452.59 J/mol×K 596.11 Calculated Property
Cp,gas 485.40 J/mol×K 676.89 Calculated Property
Cp,gas 513.03 J/mol×K 757.67 Calculated Property
Cp,gas 535.95 J/mol×K 838.44 Calculated Property
Cp,gas 554.67 J/mol×K 919.22 Calculated Property
Cp,gas 569.66 J/mol×K 1000.00 Calculated Property

Similar Compounds

TEFLUBENZURON. Hexaflumuron. 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 1. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. (-)-Bunolol methoxime, PFB-TMS. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me). 7-Angeloyl-1-formyl-6,7-dihydro-5H-pyrrolizine. Folic acid. Quinapril desethyl 3Me (Quinaprilate 3Me). (-)-Bunolol, PFB-TMS. claritine. Fominoben. Tetrazepam M (hydroxy-), isomer 4, hydrolysis, acetylated. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. propyl-«delta»1-tetrahydrocannabinolic acid, TMS.

Find more compounds similar to Difluron.

Sources

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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