Chemical Properties of Oxyflourfen

InChI

InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3

InChI Key

OQMBBFQZGJFLBU-UHFFFAOYSA-N

Formula

C15H11ClF3NO4

SMILES

CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

361.70

Other Names

• 2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene
• 2-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether
• Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-
• Ether, 2-chloro-«alpha»,«alpha»,«alpha»-trifluoro-p-tolyl 3-ethoxy-4-nitrophenyl
• Galigan
• Goal
• Koltar
• Oxyfluorfen
• Oxyfluorfene
• Oxyfluorofen
• Oxyflurofen
• Oxygold
• RH 2915

• 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).
• I_np : Non-polar retention indices.
• 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°	40.89	kJ/mol	Joback Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	5.458		Crippen Calculated Property
McVol	221.400	ml/mol	McGowan Calculated Property
Inp	[2197.00; 2198.00]
Inp	2198.00		NIST
Inp	2197.00		NIST
Tboil	625.60	K	Relay (1.0) Calculated Property
Tfus	[357.15; 359.75]	K
Tfus	357.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	359.75 ± 0.20	K	NIST

Cheméo can also estimate 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	[313.90; 658.16]	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			4.18210e+01
Coefficient B			1.17398e+00
Coefficient C			-6.84240e-04
Coefficient D			1.26600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.90	J/mol×K	273.00	Calculated Property
Cp,gas	377.12	J/mol×K	353.78	Calculated Property
Cp,gas	433.16	J/mol×K	434.56	Calculated Property
Cp,gas	482.43	J/mol×K	515.33	Calculated Property
Cp,gas	525.32	J/mol×K	596.11	Calculated Property
Cp,gas	562.23	J/mol×K	676.89	Calculated Property
Cp,gas	593.58	J/mol×K	757.67	Calculated Property
Cp,gas	619.74	J/mol×K	838.44	Calculated Property
Cp,gas	641.14	J/mol×K	919.22	Calculated Property
Cp,gas	658.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxyflourfen.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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